 Entering Gaussian System, Link 0=g16
 Input=08_d-glucose_conformer001_STD_B3LYPDBJ_augccpVDZ.in
 Output=08_d-glucose_conformer001_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/Gau-10866.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     10868.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=08_d-glucose_conformer001_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 10:47:05 2021, MaxMem=  5368709120 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "08_d-glucose_conformer001_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.639995000000      1.210425000000     -0.197110000000
  C                                                -1.660478000000      0.161160000000      0.197504000000
  C                                                 0.736747000000      0.795510000000      0.286144000000
  C                                                 1.079369000000     -0.604203000000     -0.228054000000
  O                                                 0.067145000000     -1.517619000000      0.198419000000
  C                                                -1.216562000000     -1.213556000000     -0.304644000000
  O                                                -0.922508000000      2.483202000000      0.369953000000
  H                                                -0.621099000000      1.285662000000     -1.292336000000
  O                                                -2.907145000000      0.541846000000     -0.359981000000
  H                                                -1.721531000000      0.118750000000      1.294206000000
  H                                                 0.727111000000      0.765851000000      1.383318000000
  O                                                 1.732438000000      1.706543000000     -0.165282000000
  C                                                 2.410891000000     -1.123511000000      0.302675000000
  H                                                 1.126892000000     -0.582940000000     -1.324712000000
  O                                                -2.103572000000     -2.214928000000      0.095778000000
  H                                                -1.218810000000     -1.228110000000     -1.401446000000
  H                                                -1.811275000000      2.739925000000      0.096905000000
  H                                                -3.533704000000     -0.176051000000     -0.206287000000
  H                                                 1.430942000000      2.597378000000      0.052923000000
  O                                                 3.515463000000     -0.471377000000     -0.290315000000
  H                                                 2.491301000000     -2.182395000000      0.056578000000
  H                                                 2.421925000000     -1.030336000000      1.397090000000
  H                                                -1.970048000000     -2.365618000000      1.041455000000
  H                                                 3.363901000000      0.481596000000     -0.225378000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1
 NAtoms=     24 NQM=       24 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          16           1          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  15.9949146   1.0078250  15.9949146   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   5.6000000   1.0000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   8.0000000   1.0000000   8.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          16          12           1          16           1           1           1           1          16
 AtmWgt=   1.0078250  15.9949146  12.0000000   1.0078250  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146
 NucSpn=           1           0           0           1           0           1           1           1           1           0
 AtZEff=   1.0000000   5.6000000   3.6000000   1.0000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   1.0000000   8.0000000   6.0000000   1.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000

  Atom        21          22          23          24
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Fri Aug 13 10:47:05 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.639995    1.210425   -0.197110
      2          6           0       -1.660478    0.161160    0.197504
      3          6           0        0.736747    0.795510    0.286144
      4          6           0        1.079369   -0.604203   -0.228054
      5          8           0        0.067145   -1.517619    0.198419
      6          6           0       -1.216562   -1.213556   -0.304644
      7          8           0       -0.922508    2.483202    0.369953
      8          1           0       -0.621099    1.285662   -1.292336
      9          8           0       -2.907145    0.541846   -0.359981
     10          1           0       -1.721531    0.118750    1.294206
     11          1           0        0.727111    0.765851    1.383318
     12          8           0        1.732438    1.706543   -0.165282
     13          6           0        2.410891   -1.123511    0.302675
     14          1           0        1.126892   -0.582940   -1.324712
     15          8           0       -2.103572   -2.214928    0.095778
     16          1           0       -1.218810   -1.228110   -1.401446
     17          1           0       -1.811275    2.739925    0.096905
     18          1           0       -3.533704   -0.176051   -0.206287
     19          1           0        1.430942    2.597378    0.052923
     20          8           0        3.515463   -0.471377   -0.290315
     21          1           0        2.491301   -2.182395    0.056578
     22          1           0        2.421925   -1.030336    1.397090
     23          1           0       -1.970048   -2.365618    1.041455
     24          1           0        3.363901    0.481596   -0.225378
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.515936   0.000000
     3  C    1.516940   2.481319   0.000000
     4  C    2.500009   2.876394   1.530028   0.000000
     5  O    2.845824   2.408938   2.409695   1.428568   0.000000
     6  C    2.493928   1.529398   2.863703   2.376652   1.411889
     7  O    1.421737   2.442584   2.368218   3.727894   4.124973
     8  H    1.097970   2.136454   2.139064   2.756062   3.248756
     9  O    2.369281   1.417706   3.709417   4.150076   3.660547
    10  H    2.141378   1.099219   2.741774   3.268788   2.660416
    11  H    2.136440   2.733567   1.097617   2.144214   2.655895
    12  O    2.423960   3.745891   1.423084   2.402080   3.647012
    13  C    3.873622   4.270537   2.546698   1.524567   2.378936
    14  H    2.758538   3.261941   2.155735   1.097893   2.077647
    15  O    3.736427   2.419189   4.143234   3.581957   2.282277
    16  H    2.780630   2.163743   3.281341   2.654757   2.072936
    17  H    1.948772   2.585128   3.210760   4.432224   4.654616
    18  H    3.208731   1.945696   4.407173   4.632951   3.863898
    19  H    2.504982   3.938647   1.945001   3.233059   4.337547
    20  O    4.483857   5.237216   3.107824   2.440507   3.636534
    21  H    4.623916   4.769631   3.463969   2.136646   2.517653
    22  H    4.115560   4.418674   2.721716   2.150614   2.686865
    23  H    4.011380   2.681920   4.229653   3.743418   2.362195
    24  H    4.069788   5.052316   2.694835   2.529437   3.878797
                    6          7          8          9         10
     6  C    0.000000
     7  O    3.769293   0.000000
     8  H    2.752490   2.070786   0.000000
     9  O    2.437739   2.870619   2.578479   0.000000
    10  H    2.141578   2.661450   3.043490   2.078708   0.000000
    11  H    3.247327   2.587942   3.040888   4.036965   2.534271
    12  O    4.152469   2.817519   2.643204   4.787500   4.071989
    13  C    3.679043   4.911665   4.188214   5.611955   4.427557
    14  H    2.632488   4.058714   2.558944   4.297593   3.932507
    15  O    1.396378   4.852062   4.047063   2.907447   2.651082
    16  H    1.096901   4.123043   2.586158   2.658546   3.055045
    17  H    4.018076   0.964556   2.336962   2.498245   2.883079
    18  H    2.540716   3.771210   3.435022   0.965181   2.371151
    19  H    4.654068   2.377451   2.782300   4.818164   4.197912
    20  O    4.789895   5.372251   4.604604   6.502412   5.503187
    21  H    3.849335   5.789654   4.851188   6.061207   4.957312
    22  H    4.020952   4.958346   4.675131   5.827353   4.301071
    23  H    1.925349   5.005928   4.538512   3.360881   2.509527
    24  H    4.884717   4.768034   4.202993   6.272780   5.320001
                   11         12         13         14         15
    11  H    0.000000
    12  O    2.072136   0.000000
    13  C    2.751835   2.947624   0.000000
    14  H    3.051637   2.636797   2.142256   0.000000
    15  O    4.307618   5.491909   4.649126   3.888068   0.000000
    16  H    3.939213   4.341676   4.011197   2.434019   1.999573
    17  H    3.463413   3.700611   5.726706   4.657816   4.963467
    18  H    4.644197   5.592682   6.041104   4.810155   2.508693
    19  H    2.370616   0.965453   3.855865   3.479188   5.971006
    20  O    3.479467   2.817472   1.413151   2.605320   5.895981
    21  H    3.683037   3.968493   1.090076   2.515518   4.595155
    22  H    2.469589   3.225974   1.098430   3.047209   4.855594
    23  H    4.147003   5.634458   4.613161   4.285758   0.966872
    24  H    3.101833   2.041024   1.939958   2.710347   6.104723
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.282683   0.000000
    18  H    2.809621   3.400236   0.000000
    19  H    4.875524   3.245647   5.692698   0.000000
    20  O    4.921443   6.231897   7.055851   3.725627   0.000000
    21  H    4.098953   6.537815   6.355722   4.895978   2.024062
    22  H    4.596289   5.815955   6.226567   3.993638   2.087007
    23  H    2.797508   5.194608   2.965819   6.097152   5.954208
    24  H    5.030653   5.655649   6.928912   2.879291   0.967133
                   21         22         23         24
    21  H    0.000000
    22  H    1.768905   0.000000
    23  H    4.572438   4.604224   0.000000
    24  H    2.817406   2.409494   6.177581   0.000000
 Stoichiometry    C6H12O6
 Framework group  C1[X(C6H12O6)]
 Deg. of freedom    66
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.03D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.639995    1.210425   -0.197110
      2          6           0       -1.660478    0.161160    0.197504
      3          6           0        0.736747    0.795510    0.286144
      4          6           0        1.079369   -0.604203   -0.228054
      5          8           0        0.067145   -1.517619    0.198419
      6          6           0       -1.216562   -1.213556   -0.304644
      7          8           0       -0.922509    2.483202    0.369953
      8          1           0       -0.621099    1.285662   -1.292336
      9          8           0       -2.907145    0.541845   -0.359981
     10          1           0       -1.721531    0.118750    1.294206
     11          1           0        0.727111    0.765851    1.383318
     12          8           0        1.732438    1.706543   -0.165282
     13          6           0        2.410891   -1.123510    0.302675
     14          1           0        1.126892   -0.582940   -1.324712
     15          8           0       -2.103572   -2.214928    0.095778
     16          1           0       -1.218810   -1.228110   -1.401446
     17          1           0       -1.811276    2.739925    0.096905
     18          1           0       -3.533704   -0.176052   -0.206287
     19          1           0        1.430941    2.597378    0.052923
     20          8           0        3.515463   -0.471376   -0.290315
     21          1           0        2.491301   -2.182394    0.056578
     22          1           0        2.421925   -1.030335    1.397090
     23          1           0       -1.970048   -2.365618    1.041455
     24          1           0        3.363901    0.481597   -0.225378
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3109432           0.7353740           0.4929629
 Leave Link  202 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     16     17     18     19     21     22
 Centers:      23     24
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6     13
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      7      9     12     15     20
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  36 primitive shells out of 432 were deleted.
 There are   408 symmetry adapted cartesian basis functions of A   symmetry.
 There are   384 symmetry adapted basis functions of A   symmetry.
   384 basis functions,   708 primitive gaussians,   408 cartesian basis functions
    48 alpha electrons       48 beta electrons
       nuclear repulsion energy       827.8206295350 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   24 NActive=   24 NUniq=   24 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0396489711 Hartrees.
 Nuclear repulsion after empirical dispersion term =      827.7809805639 Hartrees.
 Leave Link  301 at Fri Aug 13 10:47:08 2021, MaxMem=  5368709120 cpu:              16.9 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   384 RedAO= T EigKep=  6.58D-06  NBF=   384
 NBsUse=   384 1.00D-06 EigRej= -1.00D+00 NBFU=   384
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   408   408   408   408   408 MxSgAt=    24 MxSgA2=    24.
 Leave Link  302 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:               6.6 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 10:47:10 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "08_d-glucose_conformer001_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 10:47:11 2021, MaxMem=  5368709120 cpu:               6.2 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368369012 LenY=  5368202107
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -687.323471108741    
 DIIS: error= 2.41D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -687.323471108741     IErMin= 1 ErrMin= 2.41D-03
 ErrMax= 2.41D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.29D-03 BMatP= 9.29D-03
 IDIUse=3 WtCom= 9.76D-01 WtEn= 2.41D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.280 Goal=   None    Shift=    0.000
 GapD=    0.280 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.28D-02 MaxDP=1.14D+00              OVMax= 2.28D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.27D-02    CP:  1.05D+00
 E= -687.332749173757     Delta-E=       -0.009278065017 Rises=F Damp=F
 DIIS: error= 2.93D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -687.332749173757     IErMin= 2 ErrMin= 2.93D-04
 ErrMax= 2.93D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.04D-04 BMatP= 9.29D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.93D-03
 Coeff-Com:  0.385D-03 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.384D-03 0.100D+01
 Gap=     0.255 Goal=   None    Shift=    0.000
 RMSDP=6.27D-04 MaxDP=5.19D-02 DE=-9.28D-03 OVMax= 3.20D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.46D-04    CP:  1.04D+00  1.03D+00
 E= -687.332598854854     Delta-E=        0.000150318903 Rises=F Damp=F
 DIIS: error= 4.12D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -687.332749173757     IErMin= 2 ErrMin= 2.93D-04
 ErrMax= 4.12D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.49D-04 BMatP= 2.04D-04
 IDIUse=3 WtCom= 3.30D-01 WtEn= 6.70D-01
 Coeff-Com: -0.151D-01 0.611D+00 0.404D+00
 Coeff-En:   0.000D+00 0.647D+00 0.353D+00
 Coeff:     -0.498D-02 0.635D+00 0.370D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=8.60D-05 MaxDP=6.43D-03 DE= 1.50D-04 OVMax= 2.08D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.11D-05    CP:  1.04D+00  1.03D+00  9.26D-01
 E= -687.332914174146     Delta-E=       -0.000315319292 Rises=F Damp=F
 DIIS: error= 2.90D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -687.332914174146     IErMin= 4 ErrMin= 2.90D-05
 ErrMax= 2.90D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.79D-06 BMatP= 2.04D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.454D-02 0.146D+00 0.688D-01 0.790D+00
 Coeff:     -0.454D-02 0.146D+00 0.688D-01 0.790D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=2.67D-05 MaxDP=1.37D-03 DE=-3.15D-04 OVMax= 2.77D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.86D-05    CP:  1.04D+00  1.03D+00  9.49D-01  1.14D+00
 E= -687.332915297743     Delta-E=       -0.000001123598 Rises=F Damp=F
 DIIS: error= 1.85D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -687.332915297743     IErMin= 5 ErrMin= 1.85D-05
 ErrMax= 1.85D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.14D-07 BMatP= 1.79D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.908D-03 0.117D-01-0.604D-02 0.410D+00 0.585D+00
 Coeff:     -0.908D-03 0.117D-01-0.604D-02 0.410D+00 0.585D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=9.21D-06 MaxDP=7.05D-04 DE=-1.12D-06 OVMax= 1.10D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.70D-06    CP:  1.04D+00  1.03D+00  9.59D-01  1.15D+00  7.22D-01
 E= -687.332915866853     Delta-E=       -0.000000569109 Rises=F Damp=F
 DIIS: error= 3.14D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -687.332915866853     IErMin= 6 ErrMin= 3.14D-06
 ErrMax= 3.14D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.49D-08 BMatP= 6.14D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.855D-04-0.478D-02-0.651D-02 0.124D+00 0.248D+00 0.639D+00
 Coeff:     -0.855D-04-0.478D-02-0.651D-02 0.124D+00 0.248D+00 0.639D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=2.11D-06 MaxDP=2.32D-04 DE=-5.69D-07 OVMax= 2.33D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.24D-06    CP:  1.04D+00  1.03D+00  9.61D-01  1.16D+00  7.45D-01
                    CP:  9.26D-01
 E= -687.332915884440     Delta-E=       -0.000000017587 Rises=F Damp=F
 DIIS: error= 1.34D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -687.332915884440     IErMin= 7 ErrMin= 1.34D-06
 ErrMax= 1.34D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.46D-09 BMatP= 2.49D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.441D-04-0.397D-02-0.316D-02 0.368D-01 0.930D-01 0.360D+00
 Coeff-Com:  0.517D+00
 Coeff:      0.441D-04-0.397D-02-0.316D-02 0.368D-01 0.930D-01 0.360D+00
 Coeff:      0.517D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=4.89D-07 MaxDP=3.43D-05 DE=-1.76D-08 OVMax= 1.13D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.49D-07    CP:  1.04D+00  1.03D+00  9.62D-01  1.16D+00  7.53D-01
                    CP:  9.25D-01  9.47D-01
 E= -687.332915887616     Delta-E=       -0.000000003177 Rises=F Damp=F
 DIIS: error= 2.59D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -687.332915887616     IErMin= 8 ErrMin= 2.59D-07
 ErrMax= 2.59D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.88D-10 BMatP= 4.46D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.195D-04-0.909D-03-0.356D-03 0.175D-02 0.916D-02 0.711D-01
 Coeff-Com:  0.209D+00 0.710D+00
 Coeff:      0.195D-04-0.909D-03-0.356D-03 0.175D-02 0.916D-02 0.711D-01
 Coeff:      0.209D+00 0.710D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=1.50D-07 MaxDP=1.25D-05 DE=-3.18D-09 OVMax= 2.01D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.11D-07    CP:  1.04D+00  1.03D+00  9.62D-01  1.16D+00  7.52D-01
                    CP:  9.32D-01  9.44D-01  9.52D-01
 E= -687.332915887779     Delta-E=       -0.000000000162 Rises=F Damp=F
 DIIS: error= 9.17D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -687.332915887779     IErMin= 9 ErrMin= 9.17D-08
 ErrMax= 9.17D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.23D-11 BMatP= 1.88D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.681D-05-0.184D-03 0.537D-04-0.156D-02-0.156D-02 0.123D-01
 Coeff-Com:  0.727D-01 0.359D+00 0.560D+00
 Coeff:      0.681D-05-0.184D-03 0.537D-04-0.156D-02-0.156D-02 0.123D-01
 Coeff:      0.727D-01 0.359D+00 0.560D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=4.10D-08 MaxDP=1.84D-06 DE=-1.62D-10 OVMax= 7.14D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.90D-08    CP:  1.04D+00  1.03D+00  9.62D-01  1.16D+00  7.52D-01
                    CP:  9.33D-01  9.58D-01  9.47D-01  8.27D-01
 E= -687.332915887744     Delta-E=        0.000000000034 Rises=F Damp=F
 DIIS: error= 3.17D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -687.332915887779     IErMin=10 ErrMin= 3.17D-08
 ErrMax= 3.17D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.80D-12 BMatP= 2.23D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.208D-05-0.331D-04 0.540D-04-0.950D-03-0.139D-02 0.156D-02
 Coeff-Com:  0.229D-01 0.134D+00 0.292D+00 0.552D+00
 Coeff:      0.208D-05-0.331D-04 0.540D-04-0.950D-03-0.139D-02 0.156D-02
 Coeff:      0.229D-01 0.134D+00 0.292D+00 0.552D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=1.05D-08 MaxDP=6.95D-07 DE= 3.41D-11 OVMax= 2.11D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  8.47D-09    CP:  1.04D+00  1.03D+00  9.62D-01  1.16D+00  7.52D-01
                    CP:  9.34D-01  9.60D-01  9.50D-01  8.06D-01  9.16D-01
 E= -687.332915887743     Delta-E=        0.000000000002 Rises=F Damp=F
 DIIS: error= 1.15D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin= 9 EnMin= -687.332915887779     IErMin=11 ErrMin= 1.15D-08
 ErrMax= 1.15D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.00D-13 BMatP= 1.80D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.313D-06 0.406D-05 0.199D-04-0.306D-03-0.477D-03-0.622D-03
 Coeff-Com:  0.261D-02 0.233D-01 0.788D-01 0.292D+00 0.605D+00
 Coeff:      0.313D-06 0.406D-05 0.199D-04-0.306D-03-0.477D-03-0.622D-03
 Coeff:      0.261D-02 0.233D-01 0.788D-01 0.292D+00 0.605D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=4.04D-09 MaxDP=3.01D-07 DE= 1.82D-12 OVMax= 7.32D-08

 SCF Done:  E(RB3LYP) =  -687.332915888     A.U. after   11 cycles
            NFock= 11  Conv=0.40D-08     -V/T= 2.0057
 KE= 6.834350833929D+02 PE=-3.267759000886D+03 EE= 1.069210021042D+03
 Leave Link  502 at Fri Aug 13 10:53:01 2021, MaxMem=  5368709120 cpu:            2794.0 elap:             349.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   384
 NBasis=   384 NAE=    48 NBE=    48 NFC=     0 NFV=     0
 NROrb=    384 NOA=    48 NOB=    48 NVA=   336 NVB=   336

 **** Warning!!: The largest alpha MO coefficient is  0.61582555D+02

 Leave Link  801 at Fri Aug 13 10:53:02 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7447 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          24
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.69D-13 8.33D-09 XBig12= 1.00D+00 1.97D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.69D-13 8.33D-09 XBig12= 2.02D-01 5.70D-02.
     11 vectors produced by pass  2 Test12= 2.69D-13 8.33D-09 XBig12= 4.98D-02 3.51D-02.
     11 vectors produced by pass  3 Test12= 2.69D-13 8.33D-09 XBig12= 4.31D-03 9.71D-03.
     11 vectors produced by pass  4 Test12= 2.69D-13 8.33D-09 XBig12= 3.63D-04 2.85D-03.
     11 vectors produced by pass  5 Test12= 2.69D-13 8.33D-09 XBig12= 1.35D-05 4.46D-04.
     11 vectors produced by pass  6 Test12= 2.69D-13 8.33D-09 XBig12= 3.59D-07 6.02D-05.
     11 vectors produced by pass  7 Test12= 2.69D-13 8.33D-09 XBig12= 6.68D-09 1.02D-05.
     11 vectors produced by pass  8 Test12= 2.69D-13 8.33D-09 XBig12= 1.32D-10 1.38D-06.
      8 vectors produced by pass  9 Test12= 2.69D-13 8.33D-09 XBig12= 1.90D-12 1.29D-07.
      5 vectors produced by pass 10 Test12= 2.69D-13 8.33D-09 XBig12= 3.66D-14 1.74D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   112 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.116509D+03
      2  0.119040D+01  0.104166D+03
      3 -0.362865D+00 -0.185726D+01  0.870556D+02
 Isotropic polarizability for W=    0.088559      102.58 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.285089D+02 -0.129563D+02 -0.183094D+02
      2  -0.236669D+02  0.150433D+02  0.121862D+02
      3  -0.484201D+01 -0.208702D+01  0.612314D+01
      4  -0.213224D+02 -0.981366D+01 -0.113439D+01
      5  -0.800280D+01 -0.282383D+01  0.673151D+01
      6  -0.617342D-02  0.146368D+02 -0.131806D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.226122D+01 -0.472506D+01  0.692505D+01
      2  -0.385797D+01 -0.620162D-02  0.447465D+01
      3  -0.694881D+01 -0.110926D+02  0.168223D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.168944D+01  0.245057D+01  0.110935D+02
      2  -0.103066D+02 -0.112822D+01  0.115735D+02
      3  -0.836616D+01 -0.138533D+02  0.281766D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.415655D+00  0.116376D+01  0.346861D+00
      2   0.116376D+01 -0.571547D+00  0.136953D+01
      3   0.346861D+00  0.136953D+01 -0.429294D+00
 OR G Eigenvalues:    -2.0476    -0.2990     1.7613  Iso=     0.1951
 Eigenvectors:
   (1)  -0.277530   0.761863  -0.585271
   (2)   0.714672  -0.243408  -0.655741
   (3)   0.642044   0.600265   0.476929
 w=    0.088559 a.u., Optical Rotation Beta=      0.1951 au.
 Molar Mass =    180.1572 grams/mole, [Alpha] ( 5145.0 A) =       54.90 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   73920 ScalPx= 1.69D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   73920 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.39D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.48D-14 2.78D-09 XBig12= 1.00D+00 3.79D-01.
     30 vectors produced by pass  1 Test12= 4.48D-14 2.78D-09 XBig12= 8.46D-02 2.47D-02.
     30 vectors produced by pass  2 Test12= 4.48D-14 2.78D-09 XBig12= 1.84D-03 6.08D-03.
     30 vectors produced by pass  3 Test12= 4.48D-14 2.78D-09 XBig12= 2.54D-05 3.64D-04.
     30 vectors produced by pass  4 Test12= 4.48D-14 2.78D-09 XBig12= 2.46D-07 4.34D-05.
     30 vectors produced by pass  5 Test12= 4.48D-14 2.78D-09 XBig12= 1.01D-09 2.41D-06.
     30 vectors produced by pass  6 Test12= 4.48D-14 2.78D-09 XBig12= 3.94D-12 1.52D-07.
     15 vectors produced by pass  7 Test12= 4.48D-14 2.78D-09 XBig12= 1.05D-14 7.63D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   225 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   73920 ScalPx= 6.06D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   73920 ScalPx= 6.06D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   73920 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.62D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.116509D+03  0.119040D+01 -0.362865D+00
      2   0.119040D+01  0.104166D+03 -0.185726D+01
      3  -0.362865D+00 -0.185726D+01  0.870556D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.226122D+01 -0.472506D+01  0.692505D+01
      2  -0.385797D+01 -0.620162D-02  0.447465D+01
      3  -0.694881D+01 -0.110926D+02  0.168223D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.285089D+02 -0.129563D+02 -0.183094D+02
      2  -0.236669D+02  0.150433D+02  0.121862D+02
      3  -0.484201D+01 -0.208702D+01  0.612314D+01
      4  -0.213224D+02 -0.981366D+01 -0.113439D+01
      5  -0.800280D+01 -0.282383D+01  0.673151D+01
      6  -0.617342D-02  0.146368D+02 -0.131806D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.295722D+01  0.204912D+01 -0.710510D+00  0.153389D+01  0.223312D+01
      2   0.204912D+01  0.206124D+01  0.204700D+00  0.223312D+01 -0.367736D+01
      3  -0.710510D+00  0.204700D+00 -0.632209D+00  0.304870D+00 -0.110933D+01
                 6             7             8             9            10 
      1   0.304870D+00 -0.115502D+01  0.518699D+00 -0.541466D+00  0.311957D+01
      2  -0.110933D+01  0.518699D+00 -0.217668D+01 -0.610021D+00 -0.182789D+01
      3   0.795999D+00 -0.541466D+00 -0.610021D+00  0.881892D+01  0.109312D+01
                11            12            13            14            15 
      1  -0.182789D+01  0.109312D+01 -0.252513D+01 -0.204385D+01 -0.555630D+00
      2  -0.149647D+01 -0.297840D+00 -0.204385D+01  0.192971D+01  0.710120D+00
      3  -0.297840D+00 -0.132366D+01 -0.555630D+00  0.710120D+00  0.150660D+01
                16            17            18            19            20 
      1   0.194164D+01 -0.803018D+00  0.316394D+00  0.156534D+01 -0.221553D+01
      2  -0.803018D+00  0.999889D+00  0.553051D+00 -0.221553D+01 -0.179088D+01
      3   0.316394D+00  0.553051D+00 -0.930116D+01  0.828675D+00  0.168025D+00
                21            22            23            24            25 
      1   0.828675D+00 -0.349740D+01 -0.305902D+01  0.129203D+00  0.190053D+01
      2   0.168025D+00 -0.305902D+01  0.263172D+01  0.787596D+00  0.295090D+00
      3   0.936326D+00  0.129203D+00  0.787596D+00  0.141654D+01  0.109577D+00
                26            27            28            29            30 
      1   0.295090D+00  0.109577D+00  0.534499D+00  0.371688D+01 -0.109314D+01
      2   0.181612D+01  0.629601D+00  0.371688D+01  0.154942D+01  0.540871D-01
      3   0.629601D+00 -0.835477D+01 -0.109314D+01  0.540871D-01 -0.109967D+01
                31            32            33            34            35 
      1   0.375008D+01  0.300337D+01  0.148903D-01 -0.129904D+01  0.232431D+00
      2   0.300337D+01 -0.364030D+01 -0.897736D+00  0.232431D+00 -0.181257D+01
      3   0.148903D-01 -0.897736D+00 -0.748951D+00 -0.404010D+00 -0.284085D-01
                36            37            38            39            40 
      1  -0.404010D+00  0.197312D+01 -0.321394D+01  0.623478D+00 -0.438070D+01
      2  -0.284085D-01 -0.321394D+01 -0.425290D+00 -0.535982D+00 -0.100317D+01
      3   0.898783D+01  0.623478D+00 -0.535982D+00  0.288632D-01 -0.754226D-01
                41            42            43            44            45 
      1  -0.100317D+01 -0.754226D-01  0.290814D+01  0.175923D+00  0.261256D+00
      2  -0.310815D+01  0.947237D+00  0.175923D+00  0.123657D+01 -0.643294D+00
      3   0.947237D+00  0.717955D+00  0.261256D+00 -0.643294D+00 -0.171935D+01
                46            47            48            49            50 
      1  -0.440823D+01  0.735825D+00 -0.274336D+00  0.313720D+01  0.201432D+01
      2   0.735825D+00  0.192504D+01  0.965295D+00  0.201432D+01 -0.178631D+01
      3  -0.274336D+00  0.965295D+00 -0.560386D+00  0.118844D+00 -0.635772D+00
                51            52            53            54            55 
      1   0.118844D+00 -0.151963D+01  0.408805D+00 -0.129643D+00  0.462360D+01
      2  -0.635772D+00  0.408805D+00 -0.144266D+01 -0.138210D+00 -0.112802D+01
      3  -0.264345D+01 -0.129643D+00 -0.138210D+00  0.936689D+01  0.128115D+01
                56            57            58            59            60 
      1  -0.112802D+01  0.128115D+01 -0.415050D+00  0.910970D-02 -0.290555D+00
      2   0.192771D+01 -0.167915D+00  0.910970D-02  0.784269D+01  0.140328D+01
      3  -0.167915D+00  0.883030D+00 -0.290555D+00  0.140328D+01 -0.314197D+00
                61            62            63            64            65 
      1   0.201017D+01 -0.103241D+01  0.107853D+00  0.469976D+00 -0.340086D+00
      2  -0.103241D+01  0.342249D+01  0.152489D+01 -0.340086D+00 -0.354586D+00
      3   0.107853D+00  0.152489D+01  0.125484D+00 -0.898865D+00 -0.166708D-01
                66            67            68            69            70 
      1  -0.898865D+00 -0.196307D+00 -0.339804D+00 -0.198721D-02 -0.167896D+01
      2  -0.166708D-01 -0.339804D+00  0.766125D+00 -0.105777D+01  0.116113D+00
      3   0.189077D+00 -0.198721D-02 -0.105777D+01  0.366044D+00  0.241372D-01
                71            72            73            74            75 
      1   0.116113D+00  0.241372D-01 -0.358693D+01  0.354530D+01 -0.109892D+01
      2  -0.184249D+01  0.835544D+00  0.354530D+01  0.890676D+00 -0.937389D-01
      3   0.835544D+00 -0.775739D+01 -0.109892D+01 -0.937389D-01  0.112480D+01
                76            77            78            79            80 
      1   0.683760D+01 -0.327417D+00  0.379583D+00 -0.320883D+01  0.297860D+00
      2  -0.327417D+00  0.345121D+01 -0.896247D+00  0.297860D+00 -0.109953D+01
      3   0.379583D+00 -0.896247D+00  0.549259D+00 -0.124799D+01  0.462155D+00
                81            82            83            84            85 
      1  -0.124799D+01 -0.689932D+00  0.363631D+00  0.102669D+01  0.238561D+00
      2   0.462155D+00  0.363631D+00  0.276041D+00  0.527728D-01  0.246378D+00
      3  -0.706637D-01  0.102669D+01  0.527728D-01 -0.293421D+00  0.942452D-01
                86            87            88            89            90 
      1   0.246378D+00  0.942452D-01  0.199282D+01  0.127403D+00 -0.752822D+00
      2  -0.499952D+00  0.104171D+01  0.127403D+00  0.155455D+01 -0.306042D+00
      3   0.104171D+01 -0.681233D+00 -0.752822D+00 -0.306042D+00  0.800241D+01
                91            92            93            94            95 
      1  -0.261664D+00  0.198780D+00  0.100665D+01  0.326768D+00  0.479758D+00
      2   0.198780D+00  0.451775D+00  0.510873D-01  0.479758D+00 -0.390755D+00
      3   0.100665D+01  0.510873D-01 -0.685701D-01  0.629814D-01  0.872304D+00
                96            97            98            99           100 
      1   0.629814D-01  0.181240D+01 -0.243031D-01  0.318647D+00  0.609955D+01
      2   0.872304D+00 -0.243031D-01  0.166187D+01  0.143827D+00  0.202675D+01
      3  -0.309948D+00  0.318647D+00  0.143827D+00  0.758761D+01 -0.824615D+00
               101           102           103           104           105 
      1   0.202675D+01 -0.824615D+00  0.857150D+00  0.312113D+01  0.138899D+00
      2   0.367798D+01  0.128513D+00  0.312113D+01 -0.347007D+01 -0.974697D+00
      3   0.128513D+00 -0.167684D+00  0.138899D+00 -0.974697D+00 -0.934371D+00
               106           107           108           109           110 
      1  -0.193347D+01 -0.506696D+00  0.105947D+01  0.125789D+01 -0.313756D+01
      2  -0.506696D+00 -0.224632D+01  0.441362D+00 -0.313756D+01  0.867436D+00
      3   0.105947D+01  0.441362D+00 -0.179556D-01  0.181300D+01 -0.460595D+00
               111           112           113           114           115 
      1   0.181300D+01 -0.301504D+01 -0.189679D+01  0.330588D-01  0.309128D+01
      2  -0.460595D+00 -0.189679D+01  0.707349D+01  0.137296D+01  0.487726D-01
      3   0.145032D+01  0.330588D-01  0.137296D+01 -0.512920D+00 -0.171856D+00
               116           117           118           119           120 
      1   0.487726D-01 -0.171856D+00  0.857784D+00 -0.617891D+00 -0.102872D+01
      2   0.147947D+01  0.909169D+00 -0.617891D+00 -0.787918D-01 -0.455170D-01
      3   0.909169D+00 -0.851130D+01 -0.102872D+01 -0.455170D-01  0.736976D+00
               121           122           123           124           125 
      1  -0.695448D+00 -0.111673D+00 -0.620632D-01 -0.241165D+01 -0.108333D+00
      2  -0.111673D+00  0.205407D+00 -0.966200D+00 -0.108333D+00 -0.129984D+01
      3  -0.620632D-01 -0.966200D+00 -0.136908D+00  0.941111D+00 -0.493998D+00
               126           127           128           129           130 
      1   0.941111D+00 -0.425233D+01 -0.263040D+01  0.115371D+00 -0.290792D+01
      2  -0.493998D+00 -0.263040D+01 -0.293169D+01 -0.627609D-01 -0.295573D+01
      3  -0.780120D+01  0.115371D+00 -0.627609D-01  0.228253D+00 -0.460975D+00
               131           132           133           134           135 
      1  -0.295573D+01 -0.460975D+00 -0.834211D+00 -0.948326D+00  0.229909D+00
      2  -0.540906D+01 -0.589242D+00 -0.948326D+00 -0.199245D+01  0.120553D+01
      3  -0.589242D+00  0.158162D+01  0.229909D+00  0.120553D+01 -0.572925D+01
               136           137           138           139           140 
      1  -0.122026D-01 -0.395592D+00 -0.119289D+01 -0.494209D+00 -0.599711D+00
      2  -0.395592D+00 -0.429534D+00 -0.848565D-01 -0.599711D+00 -0.342783D+00
      3  -0.119289D+01 -0.848565D-01 -0.186288D+00  0.106944D+00 -0.940372D+00
               141           142           143           144           145 
      1   0.106944D+00 -0.224556D+01 -0.385216D+00 -0.997515D+00 -0.602339D+01
      2  -0.940372D+00 -0.385216D+00 -0.148825D+01 -0.122190D+01  0.342843D+01
      3  -0.897564D-01 -0.997515D+00 -0.122190D+01 -0.839721D+01 -0.500195D+00
               146           147           148           149           150 
      1   0.342843D+01 -0.500195D+00  0.237973D+01 -0.199366D+01  0.150013D+00
      2  -0.393122D+01  0.430774D-01 -0.199366D+01  0.284329D+01 -0.277343D+00
      3   0.430774D-01 -0.112609D+01  0.150013D+00 -0.277343D+00  0.717381D+00
               151           152           153           154           155 
      1  -0.124116D+01  0.632393D+00 -0.785152D+00 -0.730251D+01 -0.218688D+01
      2   0.632393D+00 -0.104571D+01  0.800532D+00 -0.218688D+01 -0.212869D+01
      3  -0.785152D+00  0.800532D+00 -0.117141D+00 -0.302558D-01  0.324575D-01
               156           157           158           159           160 
      1  -0.302558D-01 -0.489321D+01 -0.196038D+01 -0.219969D+00  0.872414D+00
      2   0.324575D-01 -0.196038D+01 -0.250755D+01  0.214103D+00  0.154123D+00
      3  -0.108079D+01 -0.219969D+00  0.214103D+00 -0.695492D+00 -0.102824D+01
               161           162           163           164           165 
      1   0.154123D+00 -0.102824D+01 -0.426598D+00  0.707166D+00  0.222466D+00
      2   0.386330D+00 -0.229588D+00  0.707166D+00 -0.104900D+01 -0.218469D-01
      3  -0.229588D+00 -0.900306D-01  0.222466D+00 -0.218469D-01  0.706990D-01
               166           167           168           169           170 
      1   0.238907D+01  0.702627D+00 -0.111255D+00  0.583170D+00 -0.183221D-01
      2   0.702627D+00  0.903707D+01  0.504207D+00 -0.183221D-01  0.133135D+01
      3  -0.111255D+00  0.504207D+00  0.118686D+01  0.245226D+00  0.100412D+01
               171           172           173           174           175 
      1   0.245226D+00  0.883973D+01  0.799004D+00 -0.149945D+01 -0.713871D-01
      2   0.100412D+01  0.799004D+00  0.685640D+00  0.201946D+00  0.263912D+01
      3   0.122741D+00 -0.149945D+01  0.201946D+00 -0.408275D-01  0.244474D+00
               176           177           178           179           180 
      1   0.263912D+01  0.244474D+00 -0.299359D+01 -0.185451D+00  0.175163D+01
      2  -0.483308D+01 -0.545811D+00 -0.185451D+00 -0.577573D+00  0.225754D-01
      3  -0.545811D+00 -0.115996D+01  0.175163D+01  0.225754D-01 -0.459102D+00
               181           182           183           184           185 
      1   0.735325D+00 -0.106750D+01 -0.507273D+00 -0.234776D+01  0.246248D+01
      2  -0.106750D+01  0.575243D+00  0.753338D-01  0.246248D+01 -0.956125D+01
      3  -0.507273D+00  0.753338D-01  0.283922D+00  0.761495D-01 -0.782620D+00
               186           187           188           189           190 
      1   0.761495D-01 -0.117723D+01  0.391955D+00  0.475733D+00  0.707183D-01
      2  -0.782620D+00  0.391955D+00 -0.165460D+01 -0.125818D+01  0.252228D+00
      3  -0.930661D+00  0.475733D+00 -0.125818D+01  0.163010D+00  0.109987D+01
               191           192           193           194           195 
      1   0.252228D+00  0.109987D+01  0.850885D+00  0.236488D+00 -0.149748D-01
      2   0.342802D-01  0.348036D-01  0.236488D+00 -0.827626D+00  0.958965D+00
      3   0.348036D-01 -0.758165D-01 -0.149748D-01  0.958965D+00  0.525910D+00
               196           197           198           199           200 
      1   0.212729D+01 -0.292972D+00  0.967027D+00 -0.635104D+00 -0.292745D+00
      2  -0.292972D+00  0.138723D+01 -0.119926D+01 -0.292745D+00  0.301616D-01
      3   0.967027D+00 -0.119926D+01  0.909824D+01  0.436749D+00 -0.139799D+00
               201           202           203           204           205 
      1   0.436749D+00 -0.406749D+00 -0.370813D+00  0.260052D+00  0.215036D+01
      2  -0.139799D+00 -0.370813D+00 -0.165869D+01  0.967806D+00  0.108805D+01
      3   0.278715D+00  0.260052D+00  0.967806D+00 -0.131058D+01 -0.130958D+01
               206           207           208           209           210 
      1   0.108805D+01 -0.130958D+01  0.409011D+00  0.123091D+01  0.111946D+00
      2   0.305798D+01 -0.275393D+01  0.123091D+01 -0.336503D+00 -0.845768D-01
      3  -0.275393D+01  0.636893D+01  0.111946D+00 -0.845768D-01  0.444442D+00
               211           212           213           214           215 
      1   0.354538D+01 -0.485870D+00 -0.321376D+00  0.308139D+00 -0.182574D+00
      2  -0.485870D+00  0.593221D+01 -0.107145D+00 -0.182574D+00  0.344826D+00
      3  -0.321376D+00 -0.107145D+00  0.110425D+01  0.560298D+00  0.350475D+00
               216 
      1   0.560298D+00
      2   0.350475D+00
      3  -0.315537D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.115744D+01  0.184410D+00 -0.389746D+00 -0.145619D+01  0.222471D+01
      2   0.107299D+01  0.717933D-01  0.115945D+01  0.852234D+00  0.172404D+01
      3  -0.147950D+01  0.739612D+00 -0.857393D+00  0.578509D+01 -0.112679D+01
                 6             7             8             9            10 
      1   0.635728D+00  0.823321D+00  0.383169D+01 -0.946327D+01 -0.605260D+00
      2   0.146377D+00 -0.301425D+01 -0.118441D+00 -0.562720D+01 -0.248537D+01
      3  -0.118014D+00 -0.703292D+00 -0.185556D+01 -0.119526D+01 -0.267184D+01
                11            12            13            14            15 
      1  -0.215091D+01 -0.741213D+00 -0.582565D+00 -0.181462D+01 -0.120298D+01
      2  -0.367866D+00  0.744127D+00  0.347241D+00 -0.132887D+01 -0.237017D+01
      3  -0.494945D+01 -0.187015D+00  0.109959D+01  0.252119D+01  0.247802D+01
                16            17            18            19            20 
      1  -0.123651D+01  0.237095D+01 -0.655661D+00 -0.183765D+01 -0.214073D-02
      2  -0.356204D+01 -0.126564D+01  0.134202D+02 -0.216908D+00  0.112250D+01
      3  -0.800801D+00  0.186688D+01  0.116171D+01  0.280417D+01 -0.426521D+01
                21            22            23            24            25 
      1   0.313594D+00 -0.121011D+01 -0.157383D+01 -0.648616D+00  0.339808D+00
      2   0.533124D-01  0.575799D+00  0.928518D+00  0.547438D-02 -0.439197D+01
      3   0.128024D+00  0.187386D+01 -0.439042D+01 -0.151701D+01  0.190848D+01
                26            27            28            29            30 
      1   0.216287D+01  0.602267D+01 -0.188498D+01  0.445065D+00  0.106242D+01
      2   0.551673D+00 -0.511798D+01 -0.113226D+01  0.112307D+01 -0.326630D+01
      3  -0.844602D+00 -0.364253D+00 -0.667060D+01 -0.843740D+01  0.357295D+00
                31            32            33            34            35 
      1  -0.764005D+00  0.104410D+00 -0.902387D-01 -0.102905D+00  0.347768D+01
      2  -0.604328D+00 -0.990960D+00 -0.307994D+01 -0.556675D+01  0.735739D+00
      3  -0.486497D+01  0.611690D+01  0.201482D+01  0.716324D+00  0.996289D+00
                36            37            38            39            40 
      1   0.466997D+01  0.213576D+01 -0.628774D-01 -0.131003D+01  0.482435D+00
      2   0.149032D+02  0.379145D+00  0.184300D+00  0.113394D+02 -0.200953D+00
      3   0.465450D+00 -0.370743D+01 -0.118081D+01 -0.158202D+01  0.187728D+02
                41            42            43            44            45 
      1   0.905086D+00 -0.455035D+01  0.217064D+01  0.238099D+01 -0.771942D+00
      2  -0.898873D-01  0.561283D+00 -0.677355D+01 -0.157469D+01  0.124025D+01
      3   0.205341D+01 -0.544957D-01 -0.472944D+01 -0.450891D+00 -0.390031D+00
                46            47            48            49            50 
      1  -0.463029D+00  0.416980D+00 -0.737445D+00 -0.667520D+00 -0.775926D-01
      2   0.119951D+01  0.335135D+00 -0.471746D+01 -0.303354D+00  0.198669D+01
      3   0.796151D+01  0.420258D+01  0.842639D+00 -0.928367D+00 -0.179656D+01
                51            52            53            54            55 
      1  -0.161165D+01 -0.251839D+01  0.277189D+01  0.107209D+02 -0.414399D+01
      2   0.435559D+01 -0.410946D+01 -0.900355D+00 -0.155894D+02 -0.368160D+01
      3  -0.196242D+01  0.185842D+01 -0.215911D+01 -0.157889D+00  0.161867D+02
                56            57            58            59            60 
      1   0.170690D+01 -0.162113D+01  0.225471D+01 -0.411628D+01 -0.595124D+01
      2   0.295510D+01  0.931882D+00  0.880730D+00 -0.229179D+01 -0.358650D+00
      3  -0.556530D+01  0.258801D+01  0.387368D+01  0.948163D+01  0.140618D+00
                61            62            63            64            65 
      1  -0.113383D+01  0.131929D+01 -0.272884D+01  0.109847D+01 -0.828571D-01
      2  -0.436711D+01 -0.156138D-01 -0.949748D+00  0.983847D+00 -0.593961D+00
      3   0.620434D+01  0.174309D+01  0.170068D+01  0.390630D+00 -0.172638D+01
                66            67            68            69            70 
      1  -0.433959D+00  0.127051D-01  0.144882D+01 -0.563291D+00 -0.284737D+00
      2   0.107805D+01 -0.351735D+00  0.428479D+00  0.278687D-01 -0.397252D+01
      3  -0.911474D+00  0.569015D+00  0.135030D+00 -0.655681D+00 -0.242778D+01
                71            72            73            74            75 
      1   0.375361D+01  0.937061D+01 -0.131232D+01 -0.920711D-01  0.159895D+01
      2  -0.393428D+00  0.527587D+01  0.570558D+01  0.141512D+01  0.402798D+01
      3  -0.105935D+01  0.856512D+00  0.117405D+02  0.266090D+00 -0.256347D+00
                76            77            78            79            80 
      1  -0.217698D+01 -0.523919D+00 -0.246561D+01  0.162971D+01  0.310272D+01
      2   0.117724D+01  0.272142D+01 -0.382736D+01 -0.137557D+01 -0.155567D+01
      3   0.787207D+01  0.172359D+02 -0.189111D+01 -0.130050D+00 -0.527637D+01
                81            82            83            84            85 
      1   0.378483D+00  0.148083D+00  0.309411D+00  0.130047D-02  0.733725D+00
      2   0.224049D+01 -0.205630D+01 -0.120212D+00  0.798499D+00  0.599093D-01
      3   0.729862D+00  0.734223D+00 -0.378758D+00  0.800448D-01  0.164369D+01
                86            87            88            89            90 
      1  -0.381869D+00 -0.186360D+01  0.423525D+00  0.421419D+01 -0.124912D+01
      2  -0.176644D+01  0.118554D+01 -0.343365D+01  0.365615D+00 -0.130004D+02
      3  -0.534633D+00  0.115894D+01  0.271965D+00  0.292993D+01 -0.798467D-01
                91            92            93            94            95 
      1  -0.902124D+00  0.218614D+00  0.564893D+00  0.182013D+00 -0.121904D+01
      2   0.144737D+01  0.316543D+00  0.327216D+00  0.655936D+00  0.138610D+00
      3  -0.341347D+00 -0.994504D+00  0.706979D+00  0.116811D+01  0.248702D+00
                96            97            98            99           100 
      1  -0.749727D+00 -0.446585D+00  0.426425D+01 -0.653182D+01  0.218556D+01
      2  -0.677375D+00 -0.461519D+01  0.343145D+00  0.488672D+01 -0.184215D+01
      3  -0.309557D+00  0.125658D+01 -0.119250D+01 -0.924222D-01  0.937893D+01
               101           102           103           104           105 
      1  -0.211508D-01 -0.202771D+01  0.106967D+01  0.480968D+01 -0.214747D+01
      2  -0.878217D+00  0.520497D+01  0.205935D+00 -0.160991D+01  0.992159D+00
      3  -0.111398D+02 -0.125869D+01 -0.178223D+01  0.153205D+02  0.237868D+01
               106           107           108           109           110 
      1  -0.144314D+01  0.372618D+01  0.151244D+01  0.165969D+01 -0.181240D+00
      2  -0.140463D+01  0.633163D+00 -0.114580D+01  0.273979D+01 -0.518196D+00
      3  -0.442657D+01  0.438933D+01  0.764426D+00  0.355938D+01  0.299713D+01
               111           112           113           114           115 
      1   0.244526D+01 -0.173499D+01  0.755457D+01 -0.123196D+01 -0.137233D+01
      2   0.155395D+01  0.402105D+00  0.346273D+01 -0.271422D+01 -0.476570D+01
      3  -0.112414D+01  0.122864D+02 -0.145993D+02 -0.348520D+01 -0.339213D+01
               116           117           118           119           120 
      1   0.284010D+01 -0.139630D+02 -0.327160D+00  0.143872D+00  0.639624D+00
      2   0.252013D+01 -0.191203D+02 -0.969427D+00 -0.367713D+00  0.211480D+01
      3  -0.410900D+01 -0.242889D+01  0.549298D+00 -0.744583D-01  0.864972D+00
               121           122           123           124           125 
      1  -0.292631D-01 -0.104458D+01 -0.776966D+00  0.338376D+00  0.358998D+01
      2   0.446913D-01 -0.126680D+01 -0.360748D-01 -0.393594D+01 -0.557745D+00
      3   0.221670D+01 -0.975580D+00  0.137508D+01  0.217442D+01  0.233069D+01
               126           127           128           129           130 
      1  -0.410289D+01 -0.157888D+00 -0.649307D+00 -0.141673D+01  0.867446D-01
      2  -0.108702D+02 -0.413117D+00 -0.156077D+01  0.574776D+01  0.700753D+00
      3  -0.338013D+00  0.621659D+01 -0.640472D+01  0.854135D+00  0.656594D+01
               131           132           133           134           135 
      1   0.160030D-01 -0.250458D+01  0.267170D+01  0.552837D+01 -0.152413D+02
      2   0.984894D+00 -0.158490D+01 -0.136860D+01 -0.375722D+01  0.124674D+02
      3  -0.561589D+01 -0.596644D+00  0.552453D+00 -0.116261D+01  0.258391D+01
               136           137           138           139           140 
      1  -0.131947D+01  0.740356D-01 -0.393504D+00  0.776394D+00 -0.123387D+01
      2   0.204205D+01 -0.415071D-02  0.102150D+01  0.198111D+00  0.999102D+00
      3  -0.656954D+00 -0.136566D+01  0.178457D+01  0.824734D+00  0.104442D+01
               141           142           143           144           145 
      1  -0.687493D+00 -0.570837D+00  0.317202D+01 -0.968825D+01  0.328905D+01
      2  -0.261815D+00 -0.353996D+01  0.128873D+01  0.125949D+02  0.336851D+01
      3  -0.142498D+01  0.334263D+01 -0.175633D+01  0.789787D+00 -0.163610D+02
               146           147           148           149           150 
      1  -0.151954D+01  0.376046D+01 -0.118035D+01  0.148863D+01 -0.186631D+01
      2  -0.206437D+01  0.291162D+01 -0.135936D+01  0.124869D+01 -0.150856D+01
      3   0.282437D+01 -0.193018D+01  0.512431D+01 -0.286379D+01  0.141417D+00
               151           152           153           154           155 
      1   0.230118D+01 -0.126222D+01  0.570468D+00  0.165250D+01  0.905522D+00
      2   0.810532D+00 -0.143335D+01  0.601739D+00 -0.277832D+01 -0.135004D+01
      3  -0.410027D+01  0.344152D+00 -0.111423D+01 -0.109346D+02 -0.100665D+02
               156           157           158           159           160 
      1  -0.523266D+00  0.140792D+01  0.895952D+00 -0.439101D+00 -0.323587D+00
      2   0.404817D+01 -0.179291D+01 -0.180872D+01  0.310489D+01  0.214607D+01
      3   0.765580D-01 -0.808723D+01 -0.134207D+02  0.916120D+00  0.756783D+00
               161           162           163           164           165 
      1   0.930435D+00  0.449678D+00 -0.507320D+00  0.543256D+00  0.293175D+00
      2   0.920597D+00  0.976452D-01  0.540780D+00 -0.132775D+00 -0.257517D+00
      3   0.239525D+01 -0.733449D+00 -0.481907D+01  0.449927D+01  0.898515D+00
               166           167           168           169           170 
      1   0.409596D+00 -0.327157D+01 -0.397498D+01 -0.472853D+00 -0.161171D+01
      2  -0.431020D+00  0.658198D+00  0.168618D+01 -0.848703D+00  0.141654D+01
      3   0.732116D+01 -0.198134D+02 -0.178938D+01  0.223938D+01 -0.359964D+01
               171           172           173           174           175 
      1  -0.522580D+00 -0.106105D+01 -0.857697D+00 -0.196899D+01  0.121326D+01
      2   0.659417D-01 -0.413432D+01 -0.919773D+00  0.740743D+01  0.581116D+00
      3  -0.113103D+01 -0.958464D+01 -0.124237D+02  0.150268D+01 -0.853717D+01
               176           177           178           179           180 
      1   0.208800D+01 -0.355085D+01  0.228188D+01  0.395005D+01  0.383502D+00
      2  -0.143040D+01 -0.209582D+01  0.177504D+01 -0.185881D+00 -0.319592D+01
      3   0.217738D+02  0.790592D+00  0.196202D+01  0.373580D+01 -0.176769D+01
               181           182           183           184           185 
      1  -0.150308D+01  0.460851D+00  0.768498D+00  0.977083D+00 -0.523171D+01
      2  -0.136516D+01  0.524486D+00  0.146152D+01  0.411242D+00 -0.208136D+01
      3   0.202634D+01 -0.103924D+01  0.689258D+00  0.564338D+00  0.206853D+02
               186           187           188           189           190 
      1  -0.463392D+01  0.102749D+01 -0.166087D+01 -0.336533D+00  0.203530D+01
      2  -0.257389D+01  0.495954D+00 -0.299687D+01  0.377268D+00  0.352097D+01
      3   0.200959D+01  0.190774D+01  0.343804D+01  0.236665D+01 -0.806498D-02
               191           192           193           194           195 
      1  -0.789593D-01 -0.285363D-01 -0.205248D+00  0.103921D+01  0.732823D+00
      2  -0.196828D+00  0.147351D+00 -0.856701D+00  0.254293D+01  0.131476D+01
      3  -0.133948D+01 -0.146236D+01 -0.105261D+01  0.151793D+01 -0.202124D+01
               196           197           198           199           200 
      1   0.691144D+00  0.279601D+01  0.132386D+02  0.102219D+01  0.354277D-01
      2  -0.282937D+01 -0.250461D+01  0.219728D+02 -0.220108D+01 -0.118943D+00
      3  -0.232353D+01 -0.323597D+01  0.254177D+01 -0.230242D+00  0.180928D+00
               201           202           203           204           205 
      1   0.937299D+00  0.650352D+00  0.256984D+01 -0.350277D+01 -0.351025D+01
      2  -0.750239D+00 -0.833389D+00 -0.240960D+01  0.316631D+01  0.191612D+00
      3  -0.118605D+01  0.459482D+00 -0.213497D+01  0.148929D+01 -0.316681D+01
               206           207           208           209           210 
      1  -0.448834D+01  0.169784D+02 -0.358731D+00  0.254405D+00 -0.793221D+00
      2   0.629550D+01 -0.142857D+02  0.954189D-01  0.217692D+00  0.440964D+00
      3   0.396589D+01 -0.312752D+01 -0.468093D+01  0.355431D+01  0.310186D+00
               211           212           213           214           215 
      1  -0.693334D-01 -0.372794D+01  0.116688D+00 -0.684896D+00  0.927009D+00
      2  -0.359300D+00 -0.749552D+00  0.454235D+01  0.197143D+00  0.159282D+01
      3   0.549018D+01 -0.302669D+02  0.752210D+00  0.104915D+01 -0.143339D+01
               216 
      1   0.312813D-01
      2  -0.106134D+01
      3  -0.104022D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.282524D+01 -0.695525D+01 -0.135979D+00 -0.596350D+01  0.107124D+02
      2   0.129710D+01  0.957004D+01 -0.446295D+00  0.688927D+01 -0.213979D+02
      3  -0.412234D+01 -0.261479D+01  0.582273D+00 -0.925770D+00  0.106854D+02
      4  -0.380907D+01 -0.166122D+01 -0.505330D+00 -0.779368D+01  0.890857D+01
      5   0.136021D+01 -0.824732D+00 -0.348287D+00 -0.270507D+01  0.158536D+01
      6   0.789589D+00  0.154115D+01  0.558501D+00  0.263305D+01 -0.620320D+01
                 6             7             8             9            10 
      1   0.205630D+01  0.186188D+01  0.425842D+01  0.786826D+01 -0.175675D+02
      2  -0.134044D+01 -0.321588D+00 -0.102494D+02  0.377236D+01  0.786816D+01
      3  -0.715853D+00 -0.154029D+01  0.599093D+01 -0.116406D+02  0.969935D+01
      4   0.219140D+01 -0.179696D+01  0.348154D+01  0.816596D-01  0.101741D+02
      5   0.242855D+00  0.241834D+01  0.143048D+01 -0.123286D+02 -0.692510D+01
      6  -0.692199D+01 -0.177353D+00 -0.156065D+01  0.233839D+02  0.281263D+00
                11            12            13            14            15 
      1   0.472321D+01 -0.124690D+01  0.966588D+01  0.587992D+01  0.142711D+01
      2  -0.107271D+01  0.353794D+01 -0.577380D+01 -0.782793D+00 -0.172188D+01
      3  -0.365050D+01 -0.229104D+01 -0.389209D+01 -0.509713D+01  0.294771D+00
      4  -0.272651D+01  0.105251D+01  0.524352D+01 -0.565512D+01 -0.165819D+01
      5   0.852434D+00 -0.240005D+01  0.290376D+01 -0.447327D+00 -0.446706D+01
      6  -0.191099D+01  0.210326D+01 -0.100512D+01  0.114045D+00 -0.441645D-01
                16            17            18            19            20 
      1  -0.105247D+02  0.191965D+01  0.573029D+01 -0.734122D+01  0.394353D+00
      2   0.351490D+01 -0.206008D+01  0.714851D+01  0.948807D+00 -0.594597D+01
      3   0.700979D+01  0.140437D+00 -0.128788D+02  0.639242D+01  0.555162D+01
      4   0.589412D+01 -0.280746D+01 -0.289719D+01 -0.603738D+01 -0.835242D+01
      5  -0.105670D+01 -0.264247D+01  0.340261D+02  0.261600D+01  0.140619D+01
      6   0.227551D+00  0.847258D+00  0.138536D+01 -0.185166D+00  0.139688D+01
                21            22            23            24            25 
      1  -0.849768D+00 -0.600900D+01 -0.497672D+01 -0.130502D+01  0.182402D+01
      2  -0.192182D+01  0.207410D+00  0.446085D+01 -0.324067D-01  0.121718D+01
      3   0.277159D+01  0.580159D+01  0.515870D+00  0.133742D+01 -0.304120D+01
      4   0.610182D+00 -0.989857D+01 -0.223230D+01 -0.118864D+00  0.418499D+01
      5  -0.383861D+01  0.208271D+01  0.394850D+00 -0.590128D+00  0.886905D+00
      6  -0.122685D+01 -0.316272D-01  0.265001D+01 -0.117003D+01 -0.158507D+00
                26            27            28            29            30 
      1   0.420837D+00  0.497189D+01 -0.890233D+01  0.979572D+01 -0.339451D+01
      2   0.144084D+01  0.927312D+01  0.323854D+01 -0.768218D+01  0.642784D+00
      3  -0.186167D+01 -0.142450D+02  0.566379D+01 -0.211354D+01  0.275172D+01
      4   0.363136D+01  0.133996D+01 -0.191507D+01 -0.810678D+01  0.322134D+01
      5   0.587832D+00 -0.118980D+02 -0.454004D+01  0.198339D+01 -0.100195D+02
      6   0.362217D+01 -0.141687D+02  0.455704D+01 -0.120562D+01  0.958525D+00
                31            32            33            34            35 
      1   0.752734D+01  0.413652D+01 -0.356936D+01 -0.180309D+01  0.128376D+00
      2  -0.521960D+01 -0.413980D+01  0.962693D-01 -0.208300D+01  0.123183D+01
      3  -0.230774D+01  0.327568D-02  0.347309D+01  0.388609D+01 -0.136021D+01
      4  -0.739815D+01 -0.148368D+02 -0.117174D+01  0.119018D+01 -0.243199D+01
      5   0.196603D+00 -0.583264D+00 -0.487571D+01 -0.242442D+01  0.164613D+00
      6  -0.412821D+00  0.177832D+01 -0.235201D+01  0.644179D+00  0.197933D+00
                36            37            38            39            40 
      1   0.544680D+01  0.136275D+01 -0.198467D+01 -0.154658D+01  0.272448D+00
      2   0.597011D+01  0.126207D+01  0.221494D+01 -0.307309D+00  0.763004D+00
      3  -0.114169D+02 -0.262482D+01 -0.230268D+00  0.185389D+01 -0.103545D+01
      4   0.497211D+00 -0.114716D+01  0.164945D+02 -0.187828D+01  0.140237D+02
      5   0.260794D+02  0.145202D+01 -0.302797D+00  0.186991D+02 -0.150688D+01
      6  -0.110221D+02 -0.209061D+01  0.191139D+01  0.228722D+01 -0.506348D+00
                41            42            43            44            45 
      1  -0.144167D+02  0.417893D+01  0.785203D+00  0.286928D+01 -0.560673D+01
      2   0.195392D+02 -0.108863D+01 -0.189767D+01 -0.309730D+01 -0.780845D+00
      3  -0.512251D+01 -0.309030D+01  0.111247D+01  0.228024D+00  0.638757D+01
      4   0.347524D+01 -0.402317D+00 -0.625448D+01  0.376651D-01 -0.161538D+01
      5  -0.916970D+00  0.188226D+01  0.467874D+01 -0.313910D+00  0.258185D+01
      6  -0.362625D+01  0.470527D+01 -0.104543D+01  0.604492D+01  0.204177D+01
                46            47            48            49            50 
      1  -0.963101D+01  0.358033D+01  0.452966D+01 -0.821420D+01 -0.268529D+01
      2   0.458593D+01 -0.867869D+01 -0.147412D+01 -0.420944D+00 -0.522303D+01
      3   0.504508D+01  0.509836D+01 -0.305554D+01  0.863514D+01  0.790832D+01
      4   0.210122D+01 -0.205311D+02 -0.113197D+01 -0.175764D+02 -0.389371D+01
      5   0.478843D+00 -0.906848D+00 -0.101248D+02  0.197857D+01  0.894583D+00
      6  -0.211235D+00 -0.263016D+01 -0.161697D+01  0.593107D+00  0.182875D+01
                51            52            53            54            55 
      1  -0.128325D+01  0.432563D+01 -0.630033D+00  0.883584D+01 -0.423763D+01
      2  -0.773534D+00  0.144826D+01  0.630466D+01  0.810445D+01 -0.360888D+01
      3   0.205679D+01 -0.577389D+01 -0.567463D+01 -0.169403D+02  0.784651D+01
      4   0.174744D+01  0.165188D+01  0.199085D+01  0.243382D+01  0.226768D+02
      5   0.654918D+01 -0.141671D+01  0.153685D+00 -0.297316D+02 -0.209719D+01
      6  -0.193354D+00  0.913918D+00  0.606290D+00 -0.258996D+02  0.645660D+01
                56            57            58            59            60 
      1   0.900789D+00 -0.264035D+01  0.357201D+01 -0.318198D+02 -0.603410D+01
      2   0.492207D+01  0.434133D+00 -0.157545D+01  0.476878D+02  0.505391D+01
      3  -0.582286D+01  0.220622D+01 -0.199657D+01 -0.158680D+02  0.980190D+00
      4  -0.616362D+01  0.533002D+01  0.183898D+01 -0.139360D+02 -0.399844D+01
      5   0.951240D+00  0.342117D+01  0.148250D+01 -0.294571D+01 -0.141652D+01
      6  -0.176718D+01  0.211655D+01 -0.281455D+01  0.111746D+02  0.113023D+02
                61            62            63            64            65 
      1  -0.139912D+01 -0.979023D+01 -0.802363D+01 -0.221533D+00  0.558714D+00
      2  -0.225914D+01  0.159682D+02  0.449850D+01 -0.315181D+01 -0.861190D+00
      3   0.365826D+01 -0.617801D+01  0.352513D+01  0.337334D+01  0.302476D+00
      4   0.103960D+02 -0.993589D+01 -0.191605D+01  0.818586D+00  0.222697D+01
      5   0.295789D+01 -0.367668D+01 -0.202411D+01  0.121465D+01 -0.104377D+01
      6  -0.329912D+00  0.135095D+02  0.600729D+01 -0.300795D+01 -0.554043D+00
                66            67            68            69            70 
      1   0.178348D+01  0.571675D+00 -0.425707D+01  0.262203D+01  0.189981D+01
      2  -0.630053D+00 -0.841755D+00  0.295521D+01 -0.345361D+01 -0.469449D+00
      3  -0.115343D+01  0.270080D+00  0.130186D+01  0.831582D+00 -0.143036D+01
      4  -0.257737D+01  0.194623D+01 -0.133562D+01  0.131404D+01 -0.340128D+01
      5   0.646715D+01  0.361276D-01  0.115224D+01 -0.369324D-01  0.339602D+01
      6   0.104968D+01 -0.815623D-01 -0.353435D+01  0.669832D+01 -0.264100D+00
                71            72            73            74            75 
      1   0.483399D+01 -0.157718D+02  0.212973D+02 -0.217943D+02  0.459219D+01
      2  -0.437941D+01 -0.122095D+02 -0.115660D+02  0.112174D+02 -0.548244D+01
      3  -0.454584D+00  0.279813D+02 -0.973132D+01  0.105769D+02  0.890249D+00
      4   0.287536D+01 -0.489261D+00 -0.279169D+02  0.492411D+01 -0.703523D+00
      5  -0.117260D+01  0.105340D+02  0.944551D+01 -0.350350D+00  0.705504D+01
      6   0.590259D+01 -0.229489D+02 -0.268043D+01  0.870417D+00 -0.286822D+01
                76            77            78            79            80 
      1  -0.420060D+02 -0.612300D+01 -0.518944D+00  0.175960D+02 -0.200739D+00
      2   0.240322D+02  0.741544D+01  0.129381D+01 -0.112626D+02  0.357082D+00
      3   0.179738D+02 -0.129244D+01 -0.774865D+00 -0.633344D+01 -0.156343D+00
      4   0.521102D+01 -0.198962D+02  0.474272D+01 -0.391486D+01  0.677685D+01
      5  -0.337726D+01  0.508169D+01 -0.580348D+01  0.133310D+02 -0.389497D+01
      6   0.311237D+00 -0.194027D+01  0.514066D+01 -0.259421D+01  0.367660D+01
                81            82            83            84            85 
      1   0.380329D+01  0.269749D+01 -0.108303D+01 -0.439878D+01 -0.527531D+00
      2  -0.645360D+01 -0.419101D+01  0.502584D+00  0.258813D+01  0.143188D+00
      3   0.265031D+01  0.149352D+01  0.580443D+00  0.181065D+01  0.384343D+00
      4  -0.424224D+01 -0.102843D+01  0.100122D+01  0.187428D+00  0.144357D+01
      5   0.507562D+01 -0.438336D+01 -0.284280D+00  0.676098D+01 -0.552934D+00
      6  -0.122415D+01  0.261271D+00  0.991082D-01  0.236505D+00 -0.128402D+01
                86            87            88            89            90 
      1  -0.363614D+01  0.320146D+00 -0.654709D+01  0.151121D+00 -0.137133D+02
      2   0.992518D-01  0.879212D+00  0.564878D+01  0.552248D+00 -0.153686D+02
      3   0.353689D+01 -0.119936D+01  0.898311D+00 -0.703370D+00  0.290819D+02
      4   0.177514D+01 -0.436235D+01  0.131764D-01 -0.492869D+01  0.135749D+01
      5  -0.431077D+01  0.262853D+01  0.687067D+01  0.163948D+01 -0.307670D+02
      6  -0.160541D+00  0.811365D+01 -0.947369D-01  0.415262D+01  0.123145D+01
                91            92            93            94            95 
      1   0.311495D+00 -0.367197D+00  0.207638D+01 -0.527001D+00 -0.205983D+01
      2  -0.284927D+01  0.704428D+00 -0.534720D+00  0.739912D+00 -0.984764D+00
      3   0.253777D+01 -0.337231D+00 -0.154166D+01 -0.212910D+00  0.304460D+01
      4  -0.162780D+00  0.223607D+01  0.145057D+01  0.285088D+01  0.178683D+00
      5   0.169985D+01  0.121860D+00  0.569135D+01 -0.266006D+00  0.120521D+01
      6   0.165992D+01 -0.214119D+00 -0.756795D+00  0.293816D+00  0.138752D+01
                96            97            98            99           100 
      1  -0.562070D+00  0.223945D+01 -0.206385D+01 -0.157091D+02  0.241085D+02
      2   0.231699D+01 -0.183155D+01  0.300381D+01 -0.152259D+02 -0.961397D+01
      3  -0.175492D+01 -0.407899D+00 -0.939958D+00  0.309351D+02 -0.144945D+02
      4   0.149574D+01  0.241011D+01  0.273404D+01  0.120511D+00  0.213088D+02
      5  -0.833394D+00  0.450528D+01  0.268829D+00  0.115080D+02 -0.368249D+01
      6   0.622818D+01  0.473091D+00  0.384122D+01  0.134978D+02 -0.266081D+01
               101           102           103           104           105 
      1  -0.487807D+01 -0.188270D+01 -0.626924D+00  0.178420D+02  0.374217D+01
      2   0.129772D+02  0.318464D+01  0.555232D+01 -0.195030D+02 -0.397902D+01
      3  -0.809909D+01 -0.130194D+01 -0.492539D+01  0.166105D+01  0.236845D+00
      4   0.221367D+02 -0.186817D+01  0.175117D+02 -0.224212D+01 -0.261859D+01
      5  -0.416567D+00  0.908162D+01 -0.636269D+00 -0.425338D+01  0.128337D+01
      6   0.851675D-02  0.342072D+01  0.960678D-01 -0.585850D+01  0.487261D+01
               106           107           108           109           110 
      1  -0.537114D+01  0.517378D+01  0.514727D+00 -0.105087D+02 -0.109020D+02
      2   0.219927D+01 -0.872448D+01 -0.282272D+01  0.828719D+01  0.468985D+01
      3   0.317187D+01  0.355070D+01  0.230799D+01  0.222147D+01  0.621216D+01
      4  -0.626060D+01 -0.792944D+01  0.393538D+01 -0.129506D+02  0.233404D+01
      5   0.788749D+01  0.251932D+01 -0.197622D+01  0.122597D+02 -0.274500D+01
      6   0.505875D+01  0.485309D+01 -0.283418D+01 -0.718825D+01  0.422510D+01
               111           112           113           114           115 
      1   0.266840D+01 -0.261757D+02  0.110051D+02  0.243015D+01  0.192990D+02
      2  -0.502383D+01  0.201975D+02 -0.288933D+02 -0.666481D+01 -0.850400D+01
      3   0.235542D+01  0.597827D+01  0.178882D+02  0.423466D+01 -0.107950D+02
      4  -0.546398D+01 -0.607910D+01  0.337095D+02  0.572581D+01 -0.150827D+01
      5  -0.731550D+00  0.155507D+01  0.586086D+01 -0.508701D+01 -0.156537D+01
      6  -0.434583D+01  0.505939D+00 -0.384992D+01  0.683877D+00  0.737976D+00
               116           117           118           119           120 
      1   0.170944D+01  0.154486D+02  0.241255D+01 -0.169669D+01 -0.204214D+01
      2  -0.511327D+01  0.702290D+01 -0.384839D+01  0.934211D+00  0.138942D+01
      3   0.340383D+01 -0.224715D+02  0.143584D+01  0.762479D+00  0.652721D+00
      4   0.769392D+01  0.509580D+01 -0.237410D+01  0.256210D+01  0.895653D+00
      5   0.478029D+01 -0.402150D+02 -0.273881D+01 -0.205231D+00  0.848185D+01
      6  -0.225135D+01  0.182169D+02  0.103549D+01  0.184845D+00 -0.826931D+00
               121           122           123           124           125 
      1  -0.151446D+01 -0.380614D+01 -0.712477D+00 -0.458354D+01 -0.117941D+01
      2   0.481040D+00  0.111976D+01  0.134176D+01  0.596780D+01  0.706227D+00
      3   0.103342D+01  0.268638D+01 -0.629281D+00 -0.138425D+01  0.473184D+00
      4   0.297889D+01  0.304967D+00 -0.204856D+01  0.310810D+01 -0.248132D+01
      5   0.193610D-01 -0.281425D+01  0.581711D+00  0.666298D+01 -0.124574D+01
      6  -0.614040D+00  0.153922D+01  0.731293D+01 -0.127295D+01  0.464844D+01
               126           127           128           129           130 
      1  -0.159727D+02  0.168702D+02  0.159294D+01  0.368754D+00  0.522463D+01
      2  -0.134564D+02  0.190721D+00  0.102328D+02  0.517056D+00  0.698198D+01
      3   0.294291D+02 -0.170610D+02 -0.118258D+02 -0.885810D+00 -0.122066D+02
      4  -0.143007D+01  0.247998D+02  0.289324D+02 -0.300575D+00  0.273193D+02
      5  -0.207164D+02 -0.174892D+01 -0.670130D+00  0.743732D+01  0.578542D+00
      6   0.105025D+02 -0.211794D+00 -0.867878D+00  0.342179D+01  0.125462D+01
               131           132           133           134           135 
      1  -0.647769D+01 -0.135887D+01 -0.300030D+00 -0.442345D+01  0.639393D+01
      2   0.271620D+02  0.212969D+01  0.108064D+01  0.417330D+01 -0.240823D+01
      3  -0.206843D+02 -0.770817D+00 -0.780612D+00  0.250155D+00 -0.398570D+01
      4   0.307256D+02  0.232752D+01  0.489294D+01  0.715362D+01 -0.347652D+01
      5   0.176183D+01 -0.201963D+01  0.332370D+01 -0.368952D+01  0.215543D+02
      6   0.209929D+01  0.224859D+01 -0.131748D+00 -0.227247D+01  0.260184D+02
               136           137           138           139           140 
      1   0.159981D+00  0.635676D+00  0.355594D+01 -0.409676D+00 -0.317044D+01
      2  -0.273892D+01 -0.506287D-01 -0.149484D+01  0.122967D+01  0.142389D+01
      3   0.257894D+01 -0.585048D+00 -0.206109D+01 -0.819997D+00  0.174655D+01
      4   0.154040D+01  0.409041D+01  0.296076D+01  0.426768D+01  0.170016D+01
      5   0.377060D+01  0.731774D+00  0.770551D+01 -0.445018D+00  0.243347D+01
      6   0.337821D+01 -0.207998D+00  0.542530D+00  0.860209D-01  0.336342D+01
               141           142           143           144           145 
      1  -0.185784D+01  0.245421D+01 -0.427815D+01 -0.173044D+02  0.107575D+02
      2   0.338544D+01 -0.330347D+01  0.221848D+01 -0.135176D+02  0.629504D+01
      3  -0.152760D+01  0.849265D+00  0.205968D+01  0.308220D+02 -0.170525D+02
      4   0.185805D+01  0.556561D+01  0.524026D+01  0.307499D+01 -0.338806D+02
      5  -0.700680D+00  0.757807D+01  0.349208D+01  0.236656D+02 -0.566392D-01
      6   0.716579D+01  0.303552D+01  0.764752D+01  0.240929D+02 -0.316198D+01
               146           147           148           149           150 
      1   0.439886D+00  0.196824D+01 -0.464146D+00 -0.263879D+01  0.359465D+00
      2  -0.140213D+02  0.473529D+00 -0.763439D+01  0.126551D+02 -0.157695D+01
      3   0.135814D+02 -0.244177D+01  0.809854D+01 -0.100163D+02  0.121748D+01
      4   0.251007D+02 -0.288866D+01  0.165429D+02 -0.145399D+02  0.166620D+01
      5   0.374628D+00  0.337460D+01  0.260640D+00  0.519366D+00 -0.197883D+01
      6   0.609560D+00 -0.565863D+01  0.101591D+01 -0.127695D+01  0.316205D+01
               151           152           153           154           155 
      1   0.158243D+01  0.123651D+01 -0.610828D+00  0.499334D+02  0.157083D+02
      2   0.138325D+01 -0.408973D+01  0.108787D+01 -0.274769D+02 -0.893808D+01
      3  -0.296568D+01  0.285322D+01 -0.477045D+00 -0.224565D+02 -0.677019D+01
      4  -0.684020D+01  0.487971D+01 -0.499170D+01  0.126034D+02  0.125168D+02
      5   0.418512D+01 -0.263692D+01  0.906916D+00  0.843882D+00  0.146045D+00
      6  -0.454423D+01  0.527488D+01 -0.913406D+00  0.126205D+01  0.101893D+01
               156           157           158           159           160 
      1  -0.808430D+00  0.327078D+02  0.124085D+02  0.405874D+00 -0.597433D+01
      2  -0.213214D+00 -0.186997D+02 -0.541510D+01 -0.869302D+00  0.341393D+01
      3   0.102164D+01 -0.140081D+02 -0.699337D+01  0.463428D+00  0.256040D+01
      4  -0.194399D+00  0.137919D+02  0.140327D+02 -0.111386D+01 -0.100493D+01
      5   0.658649D+01  0.153864D+01 -0.117828D+01  0.463020D+01  0.825997D+01
      6   0.118753D+00  0.127034D+01  0.996521D+00  0.266276D+00  0.655487D+00
               161           162           163           164           165 
      1  -0.129530D+01  0.472238D+01 -0.125340D+01  0.585366D+01  0.665255D+00
      2   0.579763D+00 -0.435941D+01  0.277084D+01 -0.663594D+01 -0.751002D+00
      3   0.715536D+00 -0.362969D+00 -0.151744D+01  0.782273D+00  0.857471D-01
      4  -0.209446D+01  0.180338D+01 -0.525412D+00  0.693075D+00  0.643357D+00
      5   0.212084D+01  0.365023D+00  0.529088D+00 -0.221809D+00 -0.175983D+00
      6   0.145730D+01 -0.485556D+00  0.116446D+01 -0.336387D+00 -0.811260D-01
               166           167           168           169           170 
      1   0.463794D+01 -0.276227D+02 -0.168954D+01  0.133198D+01 -0.458823D+01
      2  -0.368349D+00  0.457549D+02  0.310079D+01 -0.805572D+00  0.636247D+01
      3  -0.426959D+01 -0.181322D+02 -0.141125D+01 -0.526404D+00 -0.177423D+01
      4   0.770467D+01  0.255509D+02  0.147529D+01  0.120357D+01  0.394591D+01
      5  -0.156634D+00  0.256257D+01  0.319038D+01  0.156554D+01  0.278239D+01
      6  -0.120001D+00  0.335875D+01  0.541034D+01  0.894628D+00  0.700181D+01
               171           172           173           174           175 
      1  -0.381034D+01  0.738854D+02  0.240822D+01 -0.563252D+01  0.226865D+01
      2   0.355192D+01 -0.428986D+02 -0.583785D+00  0.719856D+01 -0.303669D+01
      3   0.258417D+00 -0.309868D+02 -0.182444D+01 -0.156604D+01  0.768033D+00
      4   0.274490D+01 -0.470617D+01  0.123354D+02  0.249688D+01  0.194098D+02
      5   0.208774D+00 -0.123088D+02  0.117146D+01  0.132143D+02  0.561359D+00
      6   0.128083D+01  0.324793D+01 -0.195625D+01  0.157643D+01 -0.121307D+01
               176           177           178           179           180 
      1   0.116327D+02  0.280178D+01 -0.202867D+02 -0.336137D+00  0.786826D+01
      2  -0.218849D+01  0.688217D+00  0.126796D+02 -0.441037D+00 -0.110741D+02
      3  -0.944418D+01 -0.349000D+01  0.760716D+01  0.777173D+00  0.320581D+01
      4  -0.283988D+02 -0.384047D+01  0.128127D+01 -0.480928D+01 -0.174515D+01
      5  -0.411419D+01 -0.383003D+01  0.193280D+02  0.208719D+00 -0.710202D+01
      6   0.146434D+01  0.701667D+01 -0.227981D+01  0.341266D+01 -0.288446D+00
               181           182           183           184           185 
      1   0.344719D+01 -0.620090D+01 -0.272575D+01 -0.532957D+01 -0.179806D+02
      2   0.270384D+01  0.140279D+01  0.847569D+00 -0.472049D+01  0.437104D+02
      3  -0.615103D+01  0.479811D+01  0.187818D+01  0.100501D+02 -0.257298D+02
      4  -0.859889D+01  0.106559D+02  0.142339D+01  0.193103D+02 -0.489634D+02
      5  -0.239657D+01  0.377783D+00  0.258823D+01  0.185469D+00 -0.327226D+01
      6   0.162859D+01 -0.419032D+00 -0.922834D+00  0.152774D+00  0.190064D+01
               186           187           188           189           190 
      1  -0.179469D+01 -0.472495D+01 -0.302207D+01 -0.361575D+01  0.107962D+01
      2   0.412649D+01  0.110882D+01  0.641443D+01  0.294375D+01 -0.401203D+01
      3  -0.233180D+01  0.361613D+01 -0.339236D+01  0.672003D+00  0.293241D+01
      4  -0.365689D+01  0.413397D+01 -0.828233D+01 -0.647217D+01  0.511325D+00
      5  -0.508128D+01  0.359896D+01 -0.652527D+01  0.986496D+00  0.624403D+01
      6   0.610187D+01 -0.212850D+01  0.767629D+01  0.147451D+01 -0.199953D+01
               191           192           193           194           195 
      1   0.112358D+01  0.738131D+01  0.500755D+01 -0.438817D+01  0.923404D+00
      2  -0.110666D+01 -0.367705D+01 -0.389741D+01  0.339990D+01 -0.248000D+01
      3  -0.169162D-01 -0.370427D+01 -0.111014D+01  0.988266D+00  0.155659D+01
      4   0.160924D+01 -0.222022D+01  0.142831D+01 -0.465129D+01  0.446614D+01
      5  -0.752159D+00  0.636691D+01 -0.428021D-01  0.483164D+01  0.281161D+01
      6  -0.615454D+00  0.477993D+00  0.538204D+00 -0.189174D+01  0.450903D+01
               196           197           198           199           200 
      1   0.893280D+01  0.328333D+01 -0.196973D+02  0.184379D+01  0.279572D+01
      2  -0.700103D+01 -0.164213D+01 -0.137591D+02 -0.142894D+01 -0.165087D+01
      3  -0.193177D+01 -0.164120D+01  0.334563D+02 -0.414850D+00 -0.114485D+01
      4  -0.456296D+01  0.643179D+01 -0.656750D+01  0.266071D+01  0.186110D+01
      5   0.994697D+01 -0.658423D+01  0.461655D+02 -0.216075D+01 -0.675447D+00
      6  -0.276256D+01  0.794777D+01 -0.208338D+02 -0.225173D+01  0.960923D+00
               201           202           203           204           205 
      1  -0.371605D+01  0.647232D+00 -0.537637D+01  0.266004D+01 -0.431696D+01
      2   0.177667D+01  0.101297D+01  0.808867D+01 -0.469925D+01  0.133124D+01
      3   0.193938D+01 -0.166020D+01 -0.271230D+01  0.203921D+01  0.298572D+01
      4  -0.214141D+01  0.331702D+01  0.578270D+01 -0.398074D+01 -0.982272D+01
      5   0.780718D+00 -0.132627D+01 -0.350547D+01  0.494964D+01  0.700436D+01
      6  -0.194224D+01 -0.166513D+01 -0.616471D+01  0.807539D+01  0.602290D+01
               206           207           208           209           210 
      1   0.754195D+01 -0.110602D+02  0.201671D+01  0.693822D+01  0.947031D+00
      2  -0.876652D+01  0.226428D+01  0.263595D+00 -0.293385D+01 -0.391818D+00
      3   0.122456D+01  0.879594D+01 -0.228031D+01 -0.400437D+01 -0.555213D+00
      4  -0.125306D+02  0.111398D+02  0.704779D+01 -0.289837D-02 -0.255460D+00
      5   0.106574D+02 -0.249592D+02  0.761493D+00 -0.574942D+00  0.982160D+00
      6   0.156058D+02 -0.303716D+02 -0.729288D-01 -0.141716D+00  0.137794D+01
               211           212           213           214           215 
      1   0.248710D+02 -0.162587D+01 -0.200307D+01  0.194114D+01 -0.480897D+00
      2  -0.144546D+02  0.194431D+01  0.179092D+01 -0.101266D+01  0.488105D+00
      3  -0.104163D+02 -0.318437D+00  0.212152D+00 -0.928474D+00 -0.720852D-02
      4  -0.885113D+00  0.356275D+02 -0.402216D+00 -0.558617D+00  0.135856D+01
      5  -0.236420D+01  0.582034D-01  0.797095D+01  0.458651D+01  0.276671D+01
      6   0.634337D+00 -0.100626D+01 -0.127665D+01  0.310452D+00  0.232423D+01
               216 
      1   0.125475D+01
      2  -0.223891D+01
      3   0.984153D+00
      4   0.221837D+01
      5  -0.230232D+01
      6  -0.278612D-03
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 12:04:57 2021, MaxMem=  5368709120 cpu:           34510.4 elap:            4314.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.18489 -19.18152 -19.17729 -19.17706 -19.17513
 Alpha  occ. eigenvalues --  -19.14348 -10.30574 -10.25640 -10.25626 -10.25609
 Alpha  occ. eigenvalues --  -10.25414 -10.23460  -1.10721  -1.07055  -1.05972
 Alpha  occ. eigenvalues --   -1.04120  -1.03917  -1.02326  -0.81150  -0.78880
 Alpha  occ. eigenvalues --   -0.70222  -0.67251  -0.64168  -0.61549  -0.57494
 Alpha  occ. eigenvalues --   -0.56396  -0.54051  -0.52482  -0.51543  -0.50852
 Alpha  occ. eigenvalues --   -0.49022  -0.46590  -0.46004  -0.43987  -0.42608
 Alpha  occ. eigenvalues --   -0.41186  -0.40077  -0.39858  -0.38752  -0.37719
 Alpha  occ. eigenvalues --   -0.36285  -0.33892  -0.32901  -0.31493  -0.30725
 Alpha  occ. eigenvalues --   -0.30129  -0.28523  -0.27544
 Alpha virt. eigenvalues --   -0.02255  -0.01591  -0.00679   0.00174   0.01410
 Alpha virt. eigenvalues --    0.01736   0.02201   0.02807   0.03241   0.04422
 Alpha virt. eigenvalues --    0.05284   0.05579   0.06215   0.06732   0.07450
 Alpha virt. eigenvalues --    0.07621   0.08024   0.08297   0.08812   0.08867
 Alpha virt. eigenvalues --    0.09673   0.10268   0.10609   0.10705   0.11134
 Alpha virt. eigenvalues --    0.11681   0.11849   0.12069   0.12861   0.12960
 Alpha virt. eigenvalues --    0.13338   0.13504   0.13891   0.14252   0.15415
 Alpha virt. eigenvalues --    0.15611   0.15825   0.16508   0.17316   0.17514
 Alpha virt. eigenvalues --    0.18332   0.19031   0.19389   0.19666   0.21048
 Alpha virt. eigenvalues --    0.21324   0.21581   0.22418   0.22474   0.22578
 Alpha virt. eigenvalues --    0.23168   0.23263   0.23408   0.24428   0.24446
 Alpha virt. eigenvalues --    0.25127   0.25603   0.25916   0.26377   0.26646
 Alpha virt. eigenvalues --    0.26853   0.27219   0.27583   0.28118   0.28510
 Alpha virt. eigenvalues --    0.29173   0.29406   0.29463   0.30360   0.30732
 Alpha virt. eigenvalues --    0.31469   0.32018   0.32772   0.32904   0.33578
 Alpha virt. eigenvalues --    0.34641   0.34909   0.35499   0.35702   0.36256
 Alpha virt. eigenvalues --    0.36883   0.37502   0.38239   0.38437   0.38848
 Alpha virt. eigenvalues --    0.39962   0.40444   0.40868   0.41349   0.42166
 Alpha virt. eigenvalues --    0.42390   0.42563   0.42964   0.44590   0.44997
 Alpha virt. eigenvalues --    0.46959   0.47113   0.48141   0.48881   0.50108
 Alpha virt. eigenvalues --    0.50648   0.50825   0.51924   0.52105   0.52263
 Alpha virt. eigenvalues --    0.53059   0.53615   0.54881   0.55893   0.56347
 Alpha virt. eigenvalues --    0.57212   0.58016   0.58686   0.58794   0.60058
 Alpha virt. eigenvalues --    0.60367   0.61133   0.62574   0.62914   0.63091
 Alpha virt. eigenvalues --    0.63679   0.64094   0.65261   0.66258   0.67097
 Alpha virt. eigenvalues --    0.67911   0.68368   0.69143   0.69412   0.70110
 Alpha virt. eigenvalues --    0.70467   0.71094   0.72062   0.72861   0.73590
 Alpha virt. eigenvalues --    0.74924   0.75353   0.75749   0.76840   0.77793
 Alpha virt. eigenvalues --    0.78481   0.78656   0.79436   0.80079   0.81132
 Alpha virt. eigenvalues --    0.82223   0.82469   0.84723   0.85682   0.86415
 Alpha virt. eigenvalues --    0.86518   0.88435   0.89506   0.90013   0.91066
 Alpha virt. eigenvalues --    0.91954   0.92375   0.94700   0.95133   0.96358
 Alpha virt. eigenvalues --    0.97315   0.98779   1.00367   1.02660   1.03777
 Alpha virt. eigenvalues --    1.04406   1.04574   1.05506   1.07226   1.07897
 Alpha virt. eigenvalues --    1.08647   1.10197   1.10509   1.11208   1.13120
 Alpha virt. eigenvalues --    1.13439   1.14006   1.14784   1.16512   1.18132
 Alpha virt. eigenvalues --    1.19559   1.20315   1.21188   1.21443   1.23055
 Alpha virt. eigenvalues --    1.23831   1.24744   1.27744   1.29158   1.29754
 Alpha virt. eigenvalues --    1.31955   1.33111   1.34505   1.35838   1.38998
 Alpha virt. eigenvalues --    1.40172   1.41579   1.42212   1.42959   1.43985
 Alpha virt. eigenvalues --    1.45960   1.47805   1.48122   1.50289   1.51045
 Alpha virt. eigenvalues --    1.52430   1.54829   1.56470   1.56872   1.58021
 Alpha virt. eigenvalues --    1.59039   1.59941   1.62409   1.62581   1.63882
 Alpha virt. eigenvalues --    1.64988   1.66240   1.67345   1.69415   1.70209
 Alpha virt. eigenvalues --    1.72805   1.74677   1.74776   1.77409   1.77865
 Alpha virt. eigenvalues --    1.79127   1.80889   1.82286   1.83420   1.84598
 Alpha virt. eigenvalues --    1.85013   1.86653   1.88570   1.89599   1.90368
 Alpha virt. eigenvalues --    1.91216   1.92878   1.93792   1.95583   1.97145
 Alpha virt. eigenvalues --    1.97903   1.98009   2.00404   2.01048   2.02104
 Alpha virt. eigenvalues --    2.03738   2.05051   2.05850   2.07570   2.08781
 Alpha virt. eigenvalues --    2.10088   2.11849   2.12348   2.15899   2.18005
 Alpha virt. eigenvalues --    2.18370   2.18850   2.20600   2.22428   2.23647
 Alpha virt. eigenvalues --    2.24865   2.25598   2.27701   2.28272   2.30495
 Alpha virt. eigenvalues --    2.31505   2.33286   2.34506   2.38263   2.38864
 Alpha virt. eigenvalues --    2.40281   2.42376   2.44825   2.46469   2.46840
 Alpha virt. eigenvalues --    2.50323   2.52262   2.52967   2.54149   2.55680
 Alpha virt. eigenvalues --    2.58543   2.60377   2.60875   2.63658   2.66576
 Alpha virt. eigenvalues --    2.67167   2.69243   2.70831   2.72399   2.73810
 Alpha virt. eigenvalues --    2.76512   2.80419   2.81909   2.85926   2.86253
 Alpha virt. eigenvalues --    2.97752   3.03473   3.07811   3.11099   3.15074
 Alpha virt. eigenvalues --    3.19857   3.24193   3.31917   3.38498   3.39715
 Alpha virt. eigenvalues --    3.41204   3.42686   3.43502   3.44361   3.45763
 Alpha virt. eigenvalues --    3.46304   3.47366   3.47929   3.48721   3.49474
 Alpha virt. eigenvalues --    3.50130   3.51505   3.51963   3.53516   3.55949
 Alpha virt. eigenvalues --    3.57729   3.59776   3.63632   3.68086   3.68786
 Alpha virt. eigenvalues --    3.73814   3.78898   3.83993   3.85238   3.93081
 Alpha virt. eigenvalues --    3.98539   4.00197   4.03422   4.06597   4.11188
 Alpha virt. eigenvalues --    4.31165
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    9.566886  -1.509754  -1.366031   0.045453  -0.086932   0.259036
     2  C   -1.509754   9.111837  -1.347335   0.583251   0.210029  -1.407832
     3  C   -1.366031  -1.347335  11.308561  -3.536446   0.325043   0.596508
     4  C    0.045453   0.583251  -3.536446  10.806206  -0.913243  -0.861519
     5  O   -0.086932   0.210029   0.325043  -0.913243   9.203175   0.038243
     6  C    0.259036  -1.407832   0.596508  -0.861519   0.038243   6.737625
     7  O   -0.701845   0.256221   0.141308   0.105391  -0.000633  -0.036208
     8  H   -1.180532   0.550610  -0.261967   0.139701   0.001796  -0.285576
     9  O    0.186738  -0.715898   0.151459  -0.048716  -0.015384   0.214988
    10  H   -0.416258  -0.799651   0.127165  -0.072516  -0.019666   0.292338
    11  H    0.129419   0.024665  -1.072042   0.193541  -0.026554  -0.084605
    12  O    0.242640   0.031750  -0.748381   0.228878   0.002556  -0.004183
    13  C   -0.423413   0.172723  -0.104342  -0.630135   0.191672  -0.153199
    14  H   -0.026939   0.169689   0.589123  -1.548686   0.062290   0.032675
    15  O   -0.037880   0.066925  -0.014057  -0.000091  -0.071004   0.070168
    16  H   -0.020701  -0.208493   0.195055   0.078347  -0.048782  -0.502858
    17  H    0.176192  -0.116876  -0.023663  -0.004879  -0.002670   0.018880
    18  H   -0.027798   0.141565  -0.024453   0.014703  -0.000078  -0.102491
    19  H   -0.067995  -0.015398   0.154497  -0.072588   0.001286   0.001911
    20  O    0.015158   0.012709   0.001750  -0.103627   0.057365  -0.019739
    21  H   -0.004754  -0.042778   0.003032   0.770021  -0.160532   0.021307
    22  H    0.051998   0.040467  -0.126016  -0.070066  -0.026942  -0.034146
    23  H    0.036808  -0.089371   0.016951   0.020152  -0.003213  -0.113714
    24  H   -0.020991   0.001873   0.002976  -0.002658  -0.001519   0.002343
               7          8          9         10         11         12
     1  C   -0.701845  -1.180532   0.186738  -0.416258   0.129419   0.242640
     2  C    0.256221   0.550610  -0.715898  -0.799651   0.024665   0.031750
     3  C    0.141308  -0.261967   0.151459   0.127165  -1.072042  -0.748381
     4  C    0.105391   0.139701  -0.048716  -0.072516   0.193541   0.228878
     5  O   -0.000633   0.001796  -0.015384  -0.019666  -0.026554   0.002556
     6  C   -0.036208  -0.285576   0.214988   0.292338  -0.084605  -0.004183
     7  O    8.657936  -0.038066  -0.016058   0.039881  -0.009941  -0.026188
     8  H   -0.038066   2.381803  -0.044028   0.099098   0.099099   0.036323
     9  O   -0.016058  -0.044028   8.643335  -0.054387  -0.004518  -0.005679
    10  H    0.039881   0.099098  -0.054387   2.216224   0.043606   0.007447
    11  H   -0.009941   0.099099  -0.004518   0.043606   2.321361  -0.012456
    12  O   -0.026188   0.036323  -0.005679   0.007447  -0.012456   8.597507
    13  C   -0.001050   0.106820  -0.001592   0.058854  -0.087018   0.020492
    14  H   -0.014474  -0.000021  -0.018541  -0.002977   0.095444  -0.043267
    15  O    0.000338  -0.000230   0.004002  -0.018247   0.001833   0.000617
    16  H    0.000120  -0.005505   0.031954   0.109382  -0.002291  -0.010540
    17  H    0.269133  -0.098900   0.017133  -0.018060   0.001813   0.005804
    18  H    0.004764   0.010017   0.276791  -0.064968  -0.001988   0.000316
    19  H    0.019797  -0.008237   0.000541  -0.000657  -0.058754   0.294435
    20  O    0.000438  -0.002023  -0.000089   0.001812  -0.012471   0.002801
    21  H    0.001021   0.003431   0.001172  -0.005129   0.026783  -0.008006
    22  H   -0.003796   0.003851  -0.001582   0.007817  -0.034604   0.016755
    23  H   -0.001499  -0.001711   0.008896   0.006798  -0.000609  -0.000508
    24  H   -0.000305   0.002355  -0.000018   0.000503   0.001982   0.018901
              13         14         15         16         17         18
     1  C   -0.423413  -0.026939  -0.037880  -0.020701   0.176192  -0.027798
     2  C    0.172723   0.169689   0.066925  -0.208493  -0.116876   0.141565
     3  C   -0.104342   0.589123  -0.014057   0.195055  -0.023663  -0.024453
     4  C   -0.630135  -1.548686  -0.000091   0.078347  -0.004879   0.014703
     5  O    0.191672   0.062290  -0.071004  -0.048782  -0.002670  -0.000078
     6  C   -0.153199   0.032675   0.070168  -0.502858   0.018880  -0.102491
     7  O   -0.001050  -0.014474   0.000338   0.000120   0.269133   0.004764
     8  H    0.106820  -0.000021  -0.000230  -0.005505  -0.098900   0.010017
     9  O   -0.001592  -0.018541   0.004002   0.031954   0.017133   0.276791
    10  H    0.058854  -0.002977  -0.018247   0.109382  -0.018060  -0.064968
    11  H   -0.087018   0.095444   0.001833  -0.002291   0.001813  -0.001988
    12  O    0.020492  -0.043267   0.000617  -0.010540   0.005804   0.000316
    13  C    6.025505  -0.280645   0.004362   0.035502  -0.007036   0.000748
    14  H   -0.280645   2.756961  -0.003558  -0.067993   0.000063   0.002831
    15  O    0.004362  -0.003558   8.348099  -0.174524  -0.000126   0.023241
    16  H    0.035502  -0.067993  -0.174524   2.063383  -0.001815  -0.021535
    17  H   -0.007036   0.000063  -0.000126  -0.001815   0.671862  -0.002641
    18  H    0.000748   0.002831   0.023241  -0.021535  -0.002641   0.664301
    19  H    0.003056   0.001672  -0.000186   0.000754  -0.002797  -0.000191
    20  O    0.048859  -0.001056   0.000677   0.000972   0.000079  -0.000016
    21  H   -0.479156  -0.160431  -0.001114   0.000600  -0.000115  -0.000178
    22  H    0.139682   0.129185  -0.001917  -0.000191   0.000342   0.000334
    23  H   -0.005083  -0.001260   0.323894   0.042136   0.000175  -0.000095
    24  H   -0.027595   0.015195   0.000209  -0.001163  -0.000128  -0.000024
              19         20         21         22         23         24
     1  C   -0.067995   0.015158  -0.004754   0.051998   0.036808  -0.020991
     2  C   -0.015398   0.012709  -0.042778   0.040467  -0.089371   0.001873
     3  C    0.154497   0.001750   0.003032  -0.126016   0.016951   0.002976
     4  C   -0.072588  -0.103627   0.770021  -0.070066   0.020152  -0.002658
     5  O    0.001286   0.057365  -0.160532  -0.026942  -0.003213  -0.001519
     6  C    0.001911  -0.019739   0.021307  -0.034146  -0.113714   0.002343
     7  O    0.019797   0.000438   0.001021  -0.003796  -0.001499  -0.000305
     8  H   -0.008237  -0.002023   0.003431   0.003851  -0.001711   0.002355
     9  O    0.000541  -0.000089   0.001172  -0.001582   0.008896  -0.000018
    10  H   -0.000657   0.001812  -0.005129   0.007817   0.006798   0.000503
    11  H   -0.058754  -0.012471   0.026783  -0.034604  -0.000609   0.001982
    12  O    0.294435   0.002801  -0.008006   0.016755  -0.000508   0.018901
    13  C    0.003056   0.048859  -0.479156   0.139682  -0.005083  -0.027595
    14  H    0.001672  -0.001056  -0.160431   0.129185  -0.001260   0.015195
    15  O   -0.000186   0.000677  -0.001114  -0.001917   0.323894   0.000209
    16  H    0.000754   0.000972   0.000600  -0.000191   0.042136  -0.001163
    17  H   -0.002797   0.000079  -0.000115   0.000342   0.000175  -0.000128
    18  H   -0.000191  -0.000016  -0.000178   0.000334  -0.000095  -0.000024
    19  H    0.630908  -0.000735   0.001395  -0.002450   0.000266  -0.001530
    20  O   -0.000735   8.421126  -0.185670   0.002334  -0.000475   0.256968
    21  H    0.001395  -0.185670   2.124642  -0.500267   0.002484   0.020255
    22  H   -0.002450   0.002334  -0.500267   1.834746   0.000190  -0.049137
    23  H    0.000266  -0.000475   0.002484   0.000190   0.699318  -0.000100
    24  H   -0.001530   0.256968   0.020255  -0.049137  -0.000100   0.651111
 Mulliken charges:
               1
     1  C    1.181497
     2  C    0.879073
     3  C    1.011306
     4  C    0.879529
     5  O   -0.716302
     6  C    1.320049
     7  O   -0.646284
     8  H   -0.508107
     9  O   -0.610518
    10  H   -0.538408
    11  H   -0.531694
    12  O   -0.648013
    13  C    1.391992
    14  H   -0.685277
    15  O   -0.521432
    16  H   -0.491813
    17  H    0.118232
    18  H    0.106846
    19  H    0.121000
    20  O   -0.497147
    21  H   -0.428011
    22  H   -0.376585
    23  H    0.059569
    24  H    0.130499
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.673390
     2  C    0.340665
     3  C    0.479612
     4  C    0.194251
     5  O   -0.716302
     6  C    0.828236
     7  O   -0.528052
     9  O   -0.503672
    12  O   -0.527013
    13  C    0.587396
    15  O   -0.461863
    20  O   -0.366648
 Electronic spatial extent (au):  <R**2>=           2206.6519
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -2.8125    Y=              0.9103    Z=              1.3195  Tot=              3.2373
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -81.1624   YY=            -73.1286   ZZ=            -70.2466
   XY=              2.5735   XZ=             -0.1003   YZ=             -2.9584
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.3165   YY=              1.7172   ZZ=              4.5993
   XY=              2.5735   XZ=             -0.1003   YZ=             -2.9584
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -68.1276  YYY=             22.8187  ZZZ=              2.1056  XYY=              5.4322
  XXY=             12.4465  XXZ=             18.4674  XZZ=             -5.7121  YZZ=             -6.8568
  YYZ=              3.2385  XYZ=              6.4633
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1779.8236 YYYY=           -878.5238 ZZZZ=           -148.2428 XXXY=             71.3329
 XXXZ=              4.0534 YYYX=            -17.2242 YYYZ=            -29.8926 ZZZX=             -4.8886
 ZZZY=             -5.7809 XXYY=           -401.1420 XXZZ=           -300.1218 YYZZ=           -170.5595
 XXYZ=            -16.1812 YYXZ=            -12.1831 ZZXY=             16.9435
 N-N= 8.277809805639D+02 E-N=-3.267758999617D+03  KE= 6.834350833929D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 12:04:58 2021, MaxMem=  5368709120 cpu:               5.6 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.13522586D+00 3.98649781D-01 5.37424069D-01
 Polarizability= 1.05978568D+02 1.14144168D+00 9.45385685D+01
                -2.54044739D-01-1.48328991D+00 7.80443162D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.1800    0.1814        0.5979    0.5952
 2     -0.1800   -0.1814        0.9281    0.9286       -6.1715   -6.1715
 3     -0.5979   -0.5952       14.7302   14.7268       -0.9282   -0.9286
 4     -0.9281   -0.9286       -0.0000    0.0000       -0.5959   -0.5952
 5     -8.5587   -8.5554        0.5959    0.5952        0.1804    0.1814
 6      0.9282    0.9286       -0.1804   -0.1814        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.5443   -0.5443        1.7856    1.7856
 2     -2.7859   -2.7859        0.0000    0.0000        1.7856    1.7856
 3     -2.7859   -2.7859       -0.5443   -0.5443       -0.0000    0.0000
 4     -0.5443   -0.5443        2.7859    2.7859      -18.5145  -18.5145
 5     -1.7856   -1.7856       44.1805   44.1805       -2.7859   -2.7859
 6    -25.6661  -25.6661        1.7856    1.7856        0.5443    0.5443
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0163    0.0000       -0.6958   -0.7257       -2.3694   -2.3808
 2      0.7699    0.7257       -3.6534   -3.7145       24.5890   24.6860
 3      2.4284    2.3808      -58.8741  -58.9074        3.6637    3.7145
 4      3.6479    3.7145        0.0101    0.0000        2.4203    2.3808
 5     34.2051   34.2214       -2.4323   -2.3808       -0.7370   -0.7257
 6     -3.6658   -3.7145        0.7770    0.7257       -0.0364    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0763    0.0000        0.0676   -0.0238        8.5465    8.5830
 2     -0.0753    0.0238       -6.5909   -6.6180       -4.4756   -4.5100
 3     -8.5904   -8.5830        7.8882    7.8869        6.9521    6.6180
 4      6.6494    6.6180        0.0232    0.0000       -8.5836   -8.5830
 5     -3.3406   -3.3769        8.6685    8.5830       -0.1944   -0.0238
 6     -6.5853   -6.6180       -0.0692    0.0238       -0.0412    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -18.6956  -18.8249        8.1087    8.1419      -22.6645  -22.6396
 2    -16.4941  -16.5452       10.9769   10.8693      -22.6204  -22.6396
 3    -16.4101  -16.5452        8.1593    8.1419      -30.5018  -30.4956
 4     -2.7836   -2.7274       -2.3100   -2.2798       -1.1268   -1.1224
 5     -7.8741   -7.8560        9.0740    9.0142        2.6727    2.2798
 6     -7.8005   -7.8918        7.9191    7.8560        2.5419    2.7274
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.6732   -2.7070    0.0003    0.0006    0.0010    6.4737
 Low frequencies ---   67.8553  106.8782  118.5166
 Diagonal vibrational polarizability:
       65.1609274      43.8493010      55.7031364
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     67.8544               106.8782               118.5160
 Red. masses --      7.1080                 4.8062                 5.5030
 Frc consts  --      0.0193                 0.0323                 0.0455
 IR Inten    --      0.6705                 1.1044                 3.0340
 RamAct Fr= 1--      0.0337                 0.0385                 0.0103
  Dep-P Fr= 1--      0.7482                 0.7478                 0.5463
  Dep-U Fr= 1--      0.8560                 0.8557                 0.7066
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0048                 0.0055                 0.0012
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0002
 Gamma2 Fr= 1--      0.0074                 0.0790                -0.0235
 Delta2 Fr= 1--      0.0201                 0.0465                -0.0254
 Raman1 Fr= 1--       0.135                  0.154                  0.041
 ROA1   Fr= 1--       1.353                  9.071                 -3.065
 CID1   Fr= 1--      10.034                 58.853                -74.714
 Raman2 Fr= 1--       0.058                  0.066                  0.014
 ROA2   Fr= 1--       0.017                  1.524                 -0.360
 CID2   Fr= 1--       0.295                 23.112                -24.807
 Raman3 Fr= 1--       0.115                  0.132                  0.029
 ROA3   Fr= 1--       1.353                  9.071                 -3.065
 CID3   Fr= 1--      11.722                 68.779               -105.737
 RC180  Fr= 1--       0.712                  0.711                  0.413
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01  -0.02     0.03  -0.03  -0.08     0.01   0.02   0.05
     2   6     0.03  -0.01   0.09     0.02   0.01  -0.00    -0.03   0.01  -0.08
     3   6     0.03   0.01  -0.14    -0.02  -0.06   0.02     0.03  -0.03  -0.07
     4   6     0.02  -0.02  -0.09    -0.00  -0.00  -0.11    -0.02  -0.03  -0.09
     5   8    -0.00  -0.02  -0.15     0.01  -0.05  -0.17    -0.01  -0.00  -0.01
     6   6    -0.02   0.03  -0.07    -0.05  -0.02   0.00    -0.03  -0.04   0.04
     7   8     0.03  -0.00  -0.00     0.04   0.02  -0.21     0.05  -0.06   0.27
     8   1    -0.13  -0.02  -0.02     0.07  -0.13  -0.09    -0.03   0.18   0.06
     9   8    -0.06   0.02   0.31    -0.01   0.02   0.08     0.05   0.02  -0.26
    10   1     0.20  -0.09   0.10     0.09   0.04   0.00    -0.17   0.05  -0.08
    11   1     0.13   0.09  -0.14    -0.13  -0.19   0.02     0.12  -0.03  -0.07
    12   8    -0.02  -0.01  -0.30     0.02   0.01   0.25    -0.02  -0.01  -0.15
    13   6    -0.05  -0.03   0.08    -0.01  -0.06  -0.15    -0.02  -0.06  -0.12
    14   1     0.11  -0.03  -0.08    -0.01   0.10  -0.11    -0.08  -0.03  -0.09
    15   8    -0.00  -0.00  -0.13    -0.01   0.02   0.19    -0.01   0.01   0.21
    16   1    -0.07   0.14  -0.07    -0.22  -0.07   0.00    -0.10  -0.15   0.04
    17   1    -0.01  -0.03   0.12     0.02  -0.02  -0.20     0.10   0.07   0.22
    18   1    -0.01  -0.02   0.30    -0.03   0.07   0.18    -0.03   0.10  -0.19
    19   1     0.01  -0.00  -0.27    -0.09  -0.01   0.21     0.03  -0.02  -0.05
    20   8     0.06   0.05   0.36     0.01   0.13   0.10    -0.00   0.14   0.15
    21   1     0.02  -0.01  -0.01     0.06  -0.00  -0.39     0.07  -0.00  -0.36
    22   1    -0.26  -0.14   0.09    -0.11  -0.33  -0.12    -0.14  -0.33  -0.09
    23   1     0.08  -0.13  -0.16     0.16   0.04   0.17     0.01   0.17   0.23
    24   1    -0.04   0.04   0.28    -0.06   0.11   0.27    -0.14   0.12   0.20
                      4                      5                      6
                      A                      A                      A
 Frequencies --    164.5387               209.8577               231.1682
 Red. masses --      4.6463                 3.1841                 3.0105
 Frc consts  --      0.0741                 0.0826                 0.0948
 IR Inten    --      6.7103                 3.2488                14.5537
 RamAct Fr= 1--      0.1139                 0.1846                 0.2298
  Dep-P Fr= 1--      0.3771                 0.6785                 0.7497
  Dep-U Fr= 1--      0.5477                 0.8085                 0.8569
 Alpha2 Fr= 1--      0.0009                 0.0002                 0.0000
 Beta2  Fr= 1--      0.0104                 0.0249                 0.0328
 AlphaG Fr= 1--     -0.0009                -0.0018                -0.0001
 Gamma2 Fr= 1--      0.0001                -0.0351                 0.0656
 Delta2 Fr= 1--     -0.0422                 0.0258                 0.0544
 Raman1 Fr= 1--       0.455                  0.738                  0.919
 ROA1   Fr= 1--      -1.342                 -2.544                  8.039
 CID1   Fr= 1--      -2.946                 -3.445                  8.745
 Raman2 Fr= 1--       0.125                  0.298                  0.394
 ROA2   Fr= 1--       0.339                 -1.049                  1.139
 CID2   Fr= 1--       2.720                 -3.516                  2.893
 Raman3 Fr= 1--       0.249                  0.597                  0.788
 ROA3   Fr= 1--      -1.342                 -2.544                  8.039
 CID3   Fr= 1--      -5.379                 -4.262                 10.206
 RC180  Fr= 1--       0.095                  0.617                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.06   0.02     0.01   0.00  -0.05     0.04  -0.05   0.01
     2   6    -0.00  -0.01   0.06     0.02   0.00  -0.04     0.03  -0.03  -0.02
     3   6     0.03  -0.07   0.04    -0.04  -0.07  -0.05     0.03  -0.00   0.03
     4   6    -0.03  -0.10   0.08     0.01  -0.06  -0.01    -0.00  -0.01   0.04
     5   8    -0.04  -0.03   0.21    -0.01  -0.10  -0.12    -0.02  -0.02  -0.01
     6   6     0.01  -0.00   0.05    -0.03  -0.02  -0.04    -0.04  -0.05  -0.03
     7   8     0.13   0.00  -0.08     0.12  -0.02   0.07    -0.16  -0.09  -0.03
     8   1     0.05  -0.14   0.02    -0.02   0.07  -0.04     0.08  -0.07   0.01
     9   8     0.03   0.02   0.03    -0.01  -0.02   0.01     0.10   0.25   0.00
    10   1    -0.02   0.00   0.06     0.06   0.00  -0.04     0.02  -0.06  -0.02
    11   1     0.06  -0.02   0.04    -0.09  -0.09  -0.05     0.05   0.04   0.03
    12   8    -0.00  -0.07  -0.03     0.01  -0.09   0.03     0.05  -0.04  -0.04
    13   6     0.05  -0.03  -0.08     0.03   0.17   0.17     0.01   0.03   0.04
    14   1    -0.16  -0.15   0.07     0.15  -0.10  -0.01     0.03   0.00   0.04
    15   8    -0.09  -0.00  -0.18    -0.08   0.06   0.05     0.01  -0.07   0.02
    16   1     0.19   0.07   0.05    -0.10  -0.05  -0.04    -0.05  -0.07  -0.03
    17   1     0.18   0.08  -0.16     0.15   0.11   0.09    -0.33  -0.42   0.21
    18   1     0.04  -0.02  -0.12     0.02  -0.04   0.04    -0.18   0.55   0.27
    19   1    -0.05  -0.06  -0.11     0.05  -0.09   0.09     0.13  -0.02  -0.00
    20   8    -0.10   0.29  -0.02    -0.05   0.11  -0.06    -0.04   0.06  -0.02
    21   1     0.21   0.03  -0.30     0.15   0.10   0.52     0.05   0.02   0.09
    22   1     0.09  -0.25  -0.07     0.03   0.54   0.14     0.04   0.08   0.04
    23   1    -0.34  -0.03  -0.15    -0.01   0.08   0.05     0.14  -0.13  -0.01
    24   1    -0.33   0.25   0.05    -0.10   0.12  -0.20    -0.09   0.06  -0.07
                      7                      8                      9
                      A                      A                      A
 Frequencies --    248.9065               283.5834               296.9521
 Red. masses --      2.5540                 2.0853                 3.8093
 Frc consts  --      0.0932                 0.0988                 0.1979
 IR Inten    --      0.9732                24.0543                 4.7254
 RamAct Fr= 1--      0.5977                 0.5028                 0.6714
  Dep-P Fr= 1--      0.6548                 0.6328                 0.6969
  Dep-U Fr= 1--      0.7914                 0.7751                 0.8214
 Alpha2 Fr= 1--      0.0010                 0.0011                 0.0006
 Beta2  Fr= 1--      0.0788                 0.0650                 0.0919
 AlphaG Fr= 1--     -0.0005                 0.0005                 0.0014
 Gamma2 Fr= 1--     -0.1527                 0.1192                -0.0405
 Delta2 Fr= 1--     -0.1623                 0.1357                 0.0525
 Raman1 Fr= 1--       2.391                  2.011                  2.686
 ROA1   Fr= 1--     -19.849                 15.786                 -2.209
 CID1   Fr= 1--      -8.302                  7.848                 -0.823
 Raman2 Fr= 1--       0.946                  0.779                  1.103
 ROA2   Fr= 1--      -2.366                  1.775                 -1.392
 CID2   Fr= 1--      -2.501                  2.277                 -1.262
 Raman3 Fr= 1--       1.892                  1.559                  2.206
 ROA3   Fr= 1--     -19.849                 15.786                 -2.209
 CID3   Fr= 1--     -10.490                 10.126                 -1.002
 RC180  Fr= 1--       0.583                  0.550                  0.643
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05   0.05    -0.01   0.08  -0.04    -0.01  -0.01  -0.18
     2   6    -0.08   0.01   0.05    -0.00   0.03  -0.03    -0.02  -0.01  -0.13
     3   6    -0.02  -0.03   0.01    -0.01   0.02  -0.02    -0.01  -0.03  -0.18
     4   6     0.00   0.00  -0.00    -0.05   0.01   0.00     0.01  -0.04  -0.08
     5   8    -0.01   0.02  -0.03    -0.02   0.03   0.04    -0.03   0.12   0.18
     6   6    -0.04   0.00   0.02     0.02   0.02  -0.01     0.00  -0.04  -0.03
     7   8     0.17   0.02  -0.01    -0.01   0.06   0.01     0.09  -0.10   0.06
     8   1    -0.04  -0.09   0.04    -0.02   0.11  -0.03    -0.08   0.13  -0.17
     9   8    -0.02   0.09  -0.06    -0.04  -0.07  -0.01    -0.09   0.07   0.08
    10   1    -0.16   0.01   0.04     0.02   0.05  -0.03     0.13   0.02  -0.12
    11   1     0.01  -0.05   0.02    -0.05   0.03  -0.02    -0.16  -0.13  -0.18
    12   8    -0.11   0.05  -0.00     0.13  -0.12   0.01    -0.00   0.09   0.10
    13   6    -0.01   0.01   0.03    -0.06  -0.00  -0.02     0.00   0.00  -0.01
    14   1     0.03   0.01  -0.00    -0.07  -0.02   0.00    -0.05  -0.25  -0.09
    15   8     0.11  -0.13  -0.00     0.07  -0.03  -0.00     0.04  -0.07  -0.02
    16   1    -0.07   0.07   0.02     0.04   0.03  -0.01     0.14  -0.18  -0.02
    17   1     0.30   0.26  -0.19    -0.05   0.02   0.12    -0.01  -0.10   0.38
    18   1    -0.18   0.28   0.14    -0.04  -0.02   0.26    -0.13   0.14   0.23
    19   1    -0.30   0.03  -0.15     0.38  -0.08   0.18    -0.04   0.02   0.34
    20   8    -0.02  -0.03  -0.01    -0.07   0.03   0.01     0.03  -0.02   0.01
    21   1    -0.01  -0.01   0.09    -0.06   0.01  -0.05     0.03  -0.01   0.06
    22   1    -0.01   0.07   0.03    -0.07  -0.04  -0.01    -0.06   0.07  -0.02
    23   1     0.44  -0.43  -0.10     0.58  -0.48  -0.14    -0.24   0.22   0.07
    24   1     0.01  -0.02  -0.03    -0.13   0.02  -0.01     0.09  -0.02   0.09
                     10                     11                     12
                      A                      A                      A
 Frequencies --    330.3392               337.7996               372.3144
 Red. masses --      1.9277                 5.5535                 1.3552
 Frc consts  --      0.1239                 0.3734                 0.1107
 IR Inten    --     56.4263                 3.4468                80.4127
 RamAct Fr= 1--      0.5601                 4.6053                 1.1929
  Dep-P Fr= 1--      0.1552                 0.3747                 0.5331
  Dep-U Fr= 1--      0.2688                 0.5451                 0.6954
 Alpha2 Fr= 1--      0.0085                 0.0373                 0.0050
 Beta2  Fr= 1--      0.0251                 0.4184                 0.1383
 AlphaG Fr= 1--     -0.0125                -0.0120                 0.0045
 Gamma2 Fr= 1--      0.1586                 0.0890                 0.0599
 Delta2 Fr= 1--      0.2002                 0.2664                 0.2418
 Raman1 Fr= 1--       2.241                 18.421                  4.772
 ROA1   Fr= 1--      21.637                 17.066                 13.483
 CID1   Fr= 1--       9.657                  0.926                  2.826
 Raman2 Fr= 1--       0.301                  5.021                  1.659
 ROA2   Fr= 1--       2.205                  0.003                 -0.497
 CID2   Fr= 1--       7.325                  0.001                 -0.300
 Raman3 Fr= 1--       0.602                 10.042                  3.318
 ROA3   Fr= 1--      21.637                 17.066                 13.483
 CID3   Fr= 1--      35.933                  1.699                  4.063
 RC180  Fr= 1--      -0.462                  0.090                  0.391
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.03    -0.11  -0.02   0.04    -0.01  -0.01   0.03
     2   6     0.04   0.01  -0.02    -0.17   0.05   0.07    -0.01   0.01   0.07
     3   6     0.00  -0.01  -0.01    -0.07  -0.09  -0.01    -0.01  -0.02  -0.01
     4   6     0.03  -0.04   0.02     0.05  -0.02  -0.04    -0.01   0.00  -0.04
     5   8    -0.00  -0.03   0.03     0.00   0.02   0.04     0.01  -0.00  -0.02
     6   6     0.02   0.03  -0.01    -0.06   0.07   0.07     0.00   0.02   0.05
     7   8     0.01  -0.03  -0.00    -0.06   0.02  -0.03     0.06   0.04  -0.06
     8   1     0.03   0.00  -0.03    -0.15  -0.07   0.03    -0.06  -0.07   0.02
     9   8     0.03  -0.06  -0.03    -0.14   0.05  -0.06     0.02  -0.00  -0.03
    10   1     0.05   0.01  -0.02    -0.27   0.10   0.06    -0.08   0.03   0.07
    11   1    -0.01  -0.00  -0.01    -0.06  -0.14  -0.01     0.02  -0.05  -0.01
    12   8    -0.08   0.09   0.01     0.00  -0.19   0.00    -0.02   0.00   0.00
    13   6     0.04  -0.04   0.01     0.22   0.08  -0.07    -0.03   0.01   0.00
    14   1     0.02  -0.07   0.03    -0.02  -0.03  -0.04    -0.01  -0.01  -0.04
    15   8    -0.10   0.14   0.00    -0.07   0.04  -0.03     0.03  -0.02  -0.01
    16   1     0.06   0.04  -0.01    -0.03   0.16   0.07    -0.03   0.09   0.05
    17   1    -0.16  -0.23   0.35    -0.11  -0.04   0.07    -0.30  -0.37   0.73
    18   1    -0.04   0.09   0.40    -0.23   0.17   0.13     0.08  -0.12  -0.32
    19   1    -0.26   0.06  -0.12     0.19  -0.16   0.13     0.05  -0.01   0.15
    20   8     0.01  -0.01  -0.01     0.35   0.02   0.02    -0.02  -0.01   0.01
    21   1     0.05  -0.04  -0.03     0.24   0.08  -0.05    -0.03   0.00   0.05
    22   1     0.07  -0.07   0.01     0.19   0.10  -0.08    -0.07   0.06  -0.00
    23   1     0.48  -0.43  -0.17     0.03  -0.18  -0.08    -0.10   0.03   0.02
    24   1     0.02  -0.01   0.04     0.37   0.02  -0.01    -0.03  -0.01  -0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    393.1700               398.2934               404.0285
 Red. masses --      2.8965                 1.4087                 1.2721
 Frc consts  --      0.2638                 0.1317                 0.1224
 IR Inten    --      0.9543                80.3503               176.2038
 RamAct Fr= 1--      0.6417                 1.1482                 1.1832
  Dep-P Fr= 1--      0.6212                 0.7183                 0.5425
  Dep-U Fr= 1--      0.7664                 0.8361                 0.7034
 Alpha2 Fr= 1--      0.0015                 0.0006                 0.0047
 Beta2  Fr= 1--      0.0820                 0.1600                 0.1387
 AlphaG Fr= 1--      0.0039                 0.0010                 0.0017
 Gamma2 Fr= 1--      0.7540                -0.5329                -0.4086
 Delta2 Fr= 1--      0.2989                -0.6353                -0.3381
 Raman1 Fr= 1--       2.567                  4.593                  4.733
 ROA1   Fr= 1--      81.946                -71.486                -50.043
 CID1   Fr= 1--      31.924                -15.565                -10.573
 Raman2 Fr= 1--       0.984                  1.920                  1.665
 ROA2   Fr= 1--      15.703                 -7.708                 -7.102
 CID2   Fr= 1--      15.965                 -4.015                 -4.266
 Raman3 Fr= 1--       1.967                  3.840                  3.329
 ROA3   Fr= 1--      81.946                -71.486                -50.043
 CID3   Fr= 1--      41.656                -18.617                -15.031
 RC180  Fr= 1--       0.533                  0.672                  0.407
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.02     0.02  -0.05   0.01    -0.01   0.02   0.02
     2   6     0.06  -0.01   0.14    -0.03   0.00   0.00     0.00  -0.01  -0.00
     3   6     0.01  -0.00  -0.13     0.04  -0.00   0.01    -0.02   0.01   0.03
     4   6    -0.05  -0.02  -0.16     0.05  -0.01   0.03     0.00   0.01   0.03
     5   8     0.02  -0.04   0.04    -0.02   0.04  -0.02     0.03  -0.03  -0.02
     6   6    -0.01  -0.01   0.13    -0.03   0.03  -0.01     0.02  -0.02  -0.00
     7   8    -0.06  -0.01   0.01    -0.01  -0.06  -0.01     0.03   0.05  -0.02
     8   1    -0.15  -0.03   0.01     0.05  -0.07   0.01     0.02   0.00   0.02
     9   8     0.15  -0.02  -0.04    -0.03   0.01   0.01     0.01  -0.05  -0.04
    10   1    -0.00   0.09   0.14    -0.03  -0.01   0.00    -0.01  -0.00  -0.00
    11   1     0.04  -0.16  -0.13     0.08   0.02   0.00     0.01   0.04   0.03
    12   8     0.03   0.07   0.04    -0.02   0.06  -0.05    -0.05   0.01  -0.04
    13   6    -0.08   0.09  -0.03     0.04  -0.04   0.03     0.00  -0.02   0.00
    14   1    -0.13  -0.14  -0.17     0.09  -0.02   0.03     0.02   0.05   0.03
    15   8    -0.09  -0.02  -0.05    -0.02   0.02   0.02     0.01  -0.01  -0.02
    16   1    -0.01   0.11   0.12    -0.05   0.03  -0.01     0.01  -0.01  -0.00
    17   1     0.12   0.16  -0.41     0.06   0.01  -0.17     0.00   0.03   0.05
    18   1     0.04   0.12   0.10     0.08  -0.16  -0.32    -0.20   0.28   0.64
    19   1     0.10   0.01   0.37     0.33  -0.02   0.76     0.21  -0.02   0.46
    20   8     0.01  -0.02   0.03    -0.01   0.01  -0.01    -0.01  -0.01  -0.00
    21   1    -0.04   0.04   0.17     0.05  -0.04   0.01    -0.02  -0.01  -0.04
    22   1    -0.23   0.27  -0.04     0.07  -0.05   0.03     0.03  -0.06   0.01
    23   1    -0.07  -0.30  -0.10     0.21  -0.14  -0.04    -0.30   0.27   0.07
    24   1     0.10  -0.01   0.03    -0.09   0.00  -0.06    -0.06  -0.01  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    420.9287               446.3458               478.9638
 Red. masses --      5.0904                 3.3305                 4.6820
 Frc consts  --      0.5314                 0.3909                 0.6328
 IR Inten    --      7.6571                21.1170                 4.8787
 RamAct Fr= 1--      5.5793                 3.6138                10.1017
  Dep-P Fr= 1--      0.4286                 0.2955                 0.0682
  Dep-U Fr= 1--      0.6001                 0.4562                 0.1277
 Alpha2 Fr= 1--      0.0372                 0.0376                 0.1910
 Beta2  Fr= 1--      0.5580                 0.2748                 0.2151
 AlphaG Fr= 1--      0.0015                 0.0096                -0.0190
 Gamma2 Fr= 1--      0.6062                -0.6530                -0.1472
 Delta2 Fr= 1--      0.1505                -0.2343                -0.2515
 Raman1 Fr= 1--      22.317                 14.455                 40.407
 ROA1   Fr= 1--      63.013                -70.187                -22.179
 CID1   Fr= 1--       2.824                 -4.856                 -0.549
 Raman2 Fr= 1--       6.696                  3.297                  2.581
 ROA2   Fr= 1--      13.344                -13.798                 -1.521
 CID2   Fr= 1--       1.993                 -4.185                 -0.589
 Raman3 Fr= 1--      13.392                  6.594                  5.162
 ROA3   Fr= 1--      63.013                -70.187                -22.179
 CID3   Fr= 1--       4.705                -10.644                 -4.297
 RC180  Fr= 1--       0.200                 -0.088                 -0.745
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.08   0.05     0.00  -0.10   0.04    -0.04   0.13  -0.03
     2   6    -0.06  -0.09   0.01    -0.07   0.03   0.09    -0.05   0.08   0.04
     3   6     0.15   0.12   0.07     0.08  -0.07  -0.04     0.07   0.04  -0.13
     4   6    -0.00   0.13   0.02     0.07  -0.04  -0.07     0.10  -0.17   0.04
     5   8    -0.09   0.11  -0.04     0.01   0.14  -0.04    -0.00  -0.15  -0.06
     6   6    -0.17  -0.08  -0.01     0.01   0.16   0.04    -0.06  -0.02   0.08
     7   8     0.11  -0.06  -0.03    -0.06  -0.12  -0.01    -0.09   0.16   0.04
     8   1     0.11  -0.13   0.05    -0.05  -0.16   0.03    -0.17   0.19  -0.03
     9   8    -0.07  -0.12  -0.04    -0.05  -0.07  -0.06    -0.08   0.02  -0.03
    10   1    -0.10  -0.10   0.00    -0.14   0.10   0.09    -0.08   0.21   0.04
    11   1     0.21   0.20   0.06     0.12  -0.16  -0.04     0.03   0.05  -0.13
    12   8     0.21   0.11  -0.01     0.07  -0.02   0.04     0.12   0.15   0.03
    13   6    -0.00   0.08  -0.00    -0.01  -0.05   0.06     0.14  -0.17   0.10
    14   1    -0.00   0.21   0.03     0.15  -0.09  -0.07     0.25  -0.29   0.04
    15   8    -0.20  -0.12  -0.00     0.12   0.10  -0.02    -0.01  -0.13  -0.02
    16   1    -0.25  -0.10  -0.01    -0.03   0.29   0.03    -0.13   0.06   0.08
    17   1     0.01  -0.16   0.22    -0.02  -0.14  -0.15    -0.12   0.09   0.05
    18   1    -0.14   0.02   0.33    -0.15   0.12   0.39    -0.05  -0.01  -0.04
    19   1     0.11   0.15  -0.28    -0.14  -0.00  -0.31    -0.11   0.12  -0.16
    20   8     0.05   0.02  -0.01    -0.11   0.02  -0.01    -0.04   0.03  -0.05
    21   1    -0.04   0.07   0.01     0.05  -0.07   0.14     0.26  -0.15   0.04
    22   1     0.01   0.10  -0.01    -0.05   0.04   0.05     0.25  -0.19   0.10
    23   1    -0.20  -0.16  -0.01    -0.14   0.34   0.05    -0.20  -0.07   0.02
    24   1     0.17   0.03   0.08    -0.23   0.01  -0.12    -0.04   0.01   0.27
                     19                     20                     21
                      A                      A                      A
 Frequencies --    500.6743               551.3522               598.3011
 Red. masses --      1.1298                 3.0665                 5.0855
 Frc consts  --      0.1669                 0.5492                 1.0726
 IR Inten    --    134.8776                32.3786                 2.8241
 RamAct Fr= 1--      0.8894                 0.7156                 0.7027
  Dep-P Fr= 1--      0.5478                 0.2210                 0.2328
  Dep-U Fr= 1--      0.7078                 0.3620                 0.3777
 Alpha2 Fr= 1--      0.0034                 0.0092                 0.0087
 Beta2  Fr= 1--      0.1049                 0.0432                 0.0442
 AlphaG Fr= 1--      0.0018                 0.0070                 0.0120
 Gamma2 Fr= 1--     -0.6810                -0.0453                -0.1229
 Delta2 Fr= 1--     -0.6276                 0.0328                -0.0956
 Raman1 Fr= 1--       3.558                  2.862                  2.811
 ROA1   Fr= 1--     -85.460                 -3.296                -14.855
 CID1   Fr= 1--     -24.021                 -1.151                 -5.285
 Raman2 Fr= 1--       1.259                  0.518                  0.531
 ROA2   Fr= 1--     -11.323                 -1.349                 -2.184
 CID2   Fr= 1--      -8.993                 -2.604                 -4.115
 Raman3 Fr= 1--       2.518                  1.036                  1.062
 ROA3   Fr= 1--     -85.460                 -3.296                -14.855
 CID3   Fr= 1--     -33.935                 -3.181                -13.993
 RC180  Fr= 1--       0.416                 -0.276                 -0.245
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02  -0.00     0.05   0.02   0.20    -0.13  -0.07   0.07
     2   6    -0.00   0.00   0.01    -0.01  -0.06  -0.08    -0.14  -0.11   0.00
     3   6    -0.01  -0.01  -0.00     0.11  -0.09   0.04     0.00   0.06  -0.04
     4   6    -0.00   0.01   0.01    -0.01  -0.11  -0.13     0.07   0.08  -0.03
     5   8     0.00   0.00  -0.01    -0.05   0.03   0.07     0.25  -0.13   0.03
     6   6     0.01   0.02   0.00     0.02  -0.05  -0.14     0.19  -0.11   0.02
     7   8     0.01  -0.02  -0.00    -0.05   0.16  -0.04     0.04  -0.03  -0.03
     8   1    -0.01  -0.03  -0.00     0.18   0.01   0.20    -0.27  -0.16   0.05
     9   8     0.00  -0.00  -0.00    -0.05  -0.01   0.02    -0.17   0.12  -0.01
    10   1    -0.01   0.00   0.01    -0.07  -0.34  -0.09    -0.29  -0.28  -0.02
    11   1    -0.01   0.01   0.00     0.35  -0.31   0.03     0.03   0.09  -0.04
    12   8    -0.01  -0.03  -0.02    -0.01   0.03  -0.01     0.13   0.05   0.01
    13   6    -0.01   0.02   0.01    -0.01   0.02  -0.01    -0.07   0.02  -0.02
    14   1     0.03   0.02   0.02    -0.10  -0.20  -0.13     0.04   0.08  -0.03
    15   8     0.02   0.01  -0.00     0.01   0.03   0.03    -0.07   0.14   0.01
    16   1     0.00   0.03   0.00     0.10  -0.20  -0.13     0.34  -0.17   0.02
    17   1     0.01  -0.01  -0.00    -0.10  -0.05  -0.08     0.06   0.08   0.04
    18   1    -0.00   0.01   0.01    -0.03  -0.02   0.03    -0.27   0.18  -0.16
    19   1     0.03  -0.04   0.07    -0.11  -0.02   0.06     0.16   0.07  -0.04
    20   8    -0.04   0.01  -0.05     0.00   0.00   0.00    -0.09  -0.03   0.01
    21   1    -0.00   0.02   0.01     0.13  -0.03   0.25    -0.16   0.02  -0.06
    22   1     0.03   0.02   0.01    -0.15   0.26  -0.02    -0.12  -0.04  -0.01
    23   1     0.00   0.03   0.00     0.16   0.13   0.03     0.09  -0.14  -0.06
    24   1     0.45   0.02   0.88     0.09   0.01   0.13    -0.08  -0.02  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    619.9599               665.9491               899.6210
 Red. masses --      3.4356                 4.9112                 1.7753
 Frc consts  --      0.7780                 1.2833                 0.8465
 IR Inten    --      7.7947                19.4019                 8.6701
 RamAct Fr= 1--      0.1829                 0.4344                 2.1106
  Dep-P Fr= 1--      0.6341                 0.5794                 0.2656
  Dep-U Fr= 1--      0.7761                 0.7337                 0.4197
 Alpha2 Fr= 1--      0.0004                 0.0014                 0.0239
 Beta2  Fr= 1--      0.0237                 0.0531                 0.1476
 AlphaG Fr= 1--      0.0014                 0.0025                -0.0003
 Gamma2 Fr= 1--      0.0725                -0.2579                 0.3392
 Delta2 Fr= 1--      0.0456                -0.0986                 0.2875
 Raman1 Fr= 1--       0.731                  1.738                  8.442
 ROA1   Fr= 1--       8.418                -27.916                 41.758
 CID1   Fr= 1--      11.509                -16.065                  4.946
 Raman2 Fr= 1--       0.284                  0.637                  1.772
 ROA2   Fr= 1--       1.375                 -5.402                  5.840
 CID2   Fr= 1--       4.844                 -8.473                  3.296
 Raman3 Fr= 1--       0.568                  1.275                  3.543
 ROA3   Fr= 1--       8.418                -27.916                 41.758
 CID3   Fr= 1--      14.830                -21.896                 11.785
 RC180  Fr= 1--       0.552                  0.467                 -0.161
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.17  -0.02   0.04     0.05   0.05  -0.02    -0.06   0.01  -0.03
     2   6    -0.00  -0.17   0.08     0.03   0.04  -0.07    -0.01  -0.01  -0.01
     3   6    -0.09   0.03  -0.13     0.01  -0.08   0.04    -0.05   0.09   0.12
     4   6     0.05   0.02   0.03     0.19   0.10  -0.11    -0.03  -0.04  -0.09
     5   8    -0.05   0.15  -0.00     0.19   0.22  -0.03    -0.00   0.02  -0.01
     6   6    -0.02  -0.03  -0.13     0.04  -0.07   0.11     0.03  -0.01   0.03
     7   8     0.02   0.08  -0.01    -0.04   0.08   0.02     0.02  -0.03  -0.01
     8   1    -0.52  -0.08   0.03     0.22   0.15  -0.00     0.01  -0.02  -0.03
     9   8     0.17  -0.02   0.00    -0.01   0.01   0.02     0.02   0.00   0.01
    10   1    -0.03  -0.45   0.07     0.09   0.16  -0.06     0.02   0.01  -0.01
    11   1    -0.19   0.04  -0.12     0.02  -0.25   0.04    -0.09   0.19   0.12
    12   8     0.02  -0.04   0.04    -0.12  -0.13  -0.00     0.00   0.01  -0.01
    13   6     0.08  -0.08   0.06     0.03  -0.06   0.06     0.07  -0.13  -0.04
    14   1     0.20  -0.08   0.03     0.36   0.16  -0.10    -0.25   0.16  -0.09
    15   8    -0.03   0.03   0.03    -0.19  -0.10  -0.01     0.00   0.01  -0.00
    16   1    -0.04  -0.08  -0.12     0.00  -0.20   0.11     0.04  -0.01   0.03
    17   1     0.03   0.19   0.07    -0.05  -0.01  -0.04     0.04   0.12   0.08
    18   1    -0.02   0.13  -0.10     0.05  -0.04   0.04    -0.02   0.03  -0.01
    19   1     0.07  -0.01  -0.04    -0.07  -0.11  -0.04     0.21   0.10  -0.10
    20   8    -0.00   0.01  -0.02    -0.10  -0.01  -0.01     0.01   0.01   0.00
    21   1     0.04  -0.05  -0.09    -0.02  -0.06   0.04     0.33  -0.24   0.50
    22   1     0.18  -0.19   0.06    -0.01  -0.07   0.06    -0.14   0.40  -0.08
    23   1     0.10   0.14   0.03    -0.26  -0.43  -0.05    -0.04  -0.05  -0.01
    24   1    -0.09  -0.00   0.02    -0.15  -0.02   0.09    -0.20  -0.03   0.18
                     25                     26                     27
                      A                      A                      A
 Frequencies --    997.7057              1010.3726              1023.4088
 Red. masses --      3.9671                 3.8869                 3.7461
 Frc consts  --      2.3266                 2.3379                 2.3117
 IR Inten    --    129.1611                41.2653                19.3072
 RamAct Fr= 1--      0.1543                 2.1584                 1.0268
  Dep-P Fr= 1--      0.6104                 0.4485                 0.6662
  Dep-U Fr= 1--      0.7580                 0.6192                 0.7997
 Alpha2 Fr= 1--      0.0004                 0.0133                 0.0015
 Beta2  Fr= 1--      0.0195                 0.2228                 0.1369
 AlphaG Fr= 1--      0.0003                 0.0201                -0.0082
 Gamma2 Fr= 1--     -0.4009                 0.3056                 0.1289
 Delta2 Fr= 1--     -0.3608                 0.3587                 0.0964
 Raman1 Fr= 1--       0.617                  8.634                  4.107
 ROA1   Fr= 1--     -50.034                 40.815                 15.455
 CID1   Fr= 1--     -81.067                  4.727                  3.763
 Raman2 Fr= 1--       0.234                  2.673                  1.642
 ROA2   Fr= 1--      -6.736                  4.465                  2.322
 CID2   Fr= 1--     -28.795                  1.670                  1.414
 Raman3 Fr= 1--       0.468                  5.346                  3.284
 ROA3   Fr= 1--     -50.034                 40.815                 15.455
 CID3   Fr= 1--    -106.943                  7.634                  4.706
 RC180  Fr= 1--       0.516                  0.238                  0.599
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.09   0.16    -0.10  -0.06  -0.17     0.24   0.01  -0.09
     2   6     0.07   0.23   0.09    -0.08   0.04   0.05     0.05  -0.16   0.17
     3   6    -0.07   0.11  -0.04     0.10  -0.11   0.13     0.05   0.15  -0.09
     4   6     0.06   0.04  -0.08     0.18   0.02   0.02     0.03   0.04  -0.01
     5   8     0.04  -0.06   0.09     0.08  -0.07   0.10     0.05  -0.04   0.05
     6   6    -0.00   0.01  -0.21    -0.15   0.06  -0.14    -0.11  -0.02  -0.05
     7   8     0.03  -0.14  -0.06    -0.04   0.06   0.03    -0.00   0.07   0.06
     8   1    -0.15  -0.10   0.13    -0.13  -0.04  -0.16     0.11   0.07  -0.08
     9   8    -0.03   0.01  -0.04     0.08  -0.03   0.02    -0.11   0.00  -0.05
    10   1    -0.06   0.12   0.08     0.09   0.16   0.07    -0.00  -0.18   0.15
    11   1    -0.02  -0.01  -0.04     0.04   0.01   0.13    -0.25   0.24  -0.08
    12   8    -0.04  -0.03   0.03     0.03   0.02  -0.03    -0.12  -0.09   0.05
    13   6     0.04  -0.02   0.02    -0.01   0.06  -0.13     0.01  -0.04  -0.03
    14   1     0.07  -0.11  -0.08     0.06   0.24   0.03    -0.05   0.03  -0.01
    15   8    -0.08  -0.12   0.03    -0.03  -0.04   0.00     0.02   0.04  -0.01
    16   1     0.07  -0.03  -0.20    -0.11   0.17  -0.13    -0.12   0.19  -0.05
    17   1     0.04  -0.13  -0.06    -0.01   0.32   0.20    -0.05  -0.37  -0.25
    18   1     0.36  -0.28   0.24    -0.04   0.06  -0.07    -0.29   0.14  -0.18
    19   1     0.27   0.11  -0.15    -0.15  -0.06   0.07     0.11   0.01  -0.05
    20   8    -0.02  -0.01   0.00    -0.07  -0.03   0.04    -0.00   0.00   0.01
    21   1    -0.01  -0.02  -0.01    -0.02   0.01   0.11     0.02  -0.08   0.16
    22   1     0.01  -0.04   0.02    -0.20   0.25  -0.13    -0.06   0.16  -0.05
    23   1     0.28   0.35   0.06     0.31   0.35   0.03     0.18   0.20  -0.01
    24   1    -0.08  -0.02   0.04     0.02  -0.02  -0.00    -0.11  -0.02   0.07
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1049.4672              1079.6879              1090.3917
 Red. masses --      3.1765                 4.5624                 4.2117
 Frc consts  --      2.0613                 3.1336                 2.9504
 IR Inten    --     30.8342                 7.9353               209.5780
 RamAct Fr= 1--      1.7737                 2.1095                 4.9359
  Dep-P Fr= 1--      0.4977                 0.4637                 0.4308
  Dep-U Fr= 1--      0.6646                 0.6336                 0.6021
 Alpha2 Fr= 1--      0.0089                 0.0122                 0.0326
 Beta2  Fr= 1--      0.1965                 0.2228                 0.4954
 AlphaG Fr= 1--     -0.0240                -0.0115                 0.0319
 Gamma2 Fr= 1--      2.0764                -1.0041                 1.5697
 Delta2 Fr= 1--      1.6605                -0.2520                 0.4216
 Raman1 Fr= 1--       7.095                  8.438                 19.744
 ROA1   Fr= 1--     252.473               -104.461                164.184
 CID1   Fr= 1--      35.587                -12.380                  8.316
 Raman2 Fr= 1--       2.358                  2.673                  5.944
 ROA2   Fr= 1--      36.550                -22.083                 34.301
 CID2   Fr= 1--      15.504                 -8.261                  5.770
 Raman3 Fr= 1--       4.715                  5.346                 11.889
 ROA3   Fr= 1--     252.473               -104.461                164.184
 CID3   Fr= 1--      53.547                -19.539                 13.810
 RC180  Fr= 1--       0.329                  0.267                  0.204
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03  -0.04     0.08   0.07   0.02     0.06   0.12  -0.05
     2   6     0.06   0.09   0.12    -0.04  -0.03   0.03    -0.14  -0.01   0.07
     3   6     0.11  -0.07  -0.06    -0.17  -0.05   0.01    -0.11  -0.06   0.07
     4   6    -0.12  -0.06   0.18    -0.12  -0.15   0.05    -0.10  -0.11  -0.00
     5   8     0.04   0.11  -0.08     0.13   0.10  -0.04     0.17   0.06   0.00
     6   6     0.15  -0.05  -0.08    -0.03   0.04  -0.03    -0.03   0.03  -0.08
     7   8    -0.02   0.02   0.02     0.02  -0.02  -0.00     0.01  -0.04  -0.01
     8   1    -0.37  -0.11  -0.05     0.24   0.11   0.03     0.41   0.16  -0.04
     9   8    -0.06   0.03  -0.05     0.01  -0.02   0.01     0.06  -0.04   0.03
    10   1     0.01   0.09   0.11    -0.08  -0.11   0.02    -0.10   0.02   0.08
    11   1    -0.01   0.20  -0.05    -0.24   0.05   0.00    -0.10  -0.14   0.06
    12   8     0.01  -0.01   0.00     0.06   0.07  -0.03     0.05   0.06  -0.04
    13   6    -0.05  -0.04  -0.08     0.24   0.16  -0.11    -0.20  -0.09   0.12
    14   1    -0.25   0.15   0.17    -0.24  -0.12   0.03     0.12  -0.21   0.00
    15   8    -0.07  -0.05   0.03    -0.03  -0.02   0.01    -0.06  -0.03   0.01
    16   1     0.20  -0.12  -0.08     0.00   0.06  -0.03     0.13   0.12  -0.07
    17   1    -0.03  -0.03  -0.02    -0.01  -0.23  -0.13     0.00  -0.08  -0.03
    18   1     0.12  -0.11   0.10    -0.12   0.08  -0.09    -0.27   0.21  -0.21
    19   1    -0.38  -0.18   0.20     0.05   0.06  -0.03     0.06   0.07  -0.05
    20   8     0.04   0.02   0.01    -0.18  -0.13   0.11     0.16   0.09  -0.10
    21   1     0.05  -0.10   0.25     0.43   0.18  -0.18    -0.25  -0.06  -0.02
    22   1    -0.04   0.29  -0.10     0.24  -0.05  -0.07    -0.13  -0.17   0.11
    23   1     0.02   0.03   0.03     0.02   0.02   0.01     0.21   0.21   0.02
    24   1    -0.03   0.01   0.03     0.21  -0.06  -0.13    -0.05   0.05   0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1099.2875              1104.1177              1114.2679
 Red. masses --      3.2079                 3.5397                 2.5867
 Frc consts  --      2.2840                 2.5424                 1.8922
 IR Inten    --    190.0371                94.1782                66.7533
 RamAct Fr= 1--      5.9456                 1.6777                 7.6756
  Dep-P Fr= 1--      0.1723                 0.6415                 0.6935
  Dep-U Fr= 1--      0.2940                 0.7816                 0.8190
 Alpha2 Fr= 1--      0.0868                 0.0033                 0.0076
 Beta2  Fr= 1--      0.2913                 0.2185                 1.0478
 AlphaG Fr= 1--     -0.0288                 0.0122                -0.0024
 Gamma2 Fr= 1--     -1.5366                -1.1409                 2.0750
 Delta2 Fr= 1--     -0.9441                -0.5718                 0.4189
 Raman1 Fr= 1--      23.782                  6.711                 30.702
 ROA1   Fr= 1--    -177.727               -127.825                212.603
 CID1   Fr= 1--      -7.473                -19.048                  6.925
 Raman2 Fr= 1--       3.496                  2.623                 12.573
 ROA2   Fr= 1--     -29.327                -22.808                 46.448
 CID2   Fr= 1--      -8.390                 -8.697                  3.694
 Raman3 Fr= 1--       6.991                  5.245                 25.146
 ROA3   Fr= 1--    -177.727               -127.825                212.603
 CID3   Fr= 1--     -25.422                -24.370                  8.455
 RC180  Fr= 1--      -0.412                  0.563                  0.638
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.05  -0.14    -0.08   0.14   0.03    -0.04   0.23   0.00
     2   6     0.06  -0.05   0.18     0.02  -0.06  -0.07     0.01  -0.06   0.04
     3   6     0.03   0.02   0.15     0.19   0.16   0.01     0.08  -0.09  -0.03
     4   6     0.03  -0.04  -0.12     0.03  -0.18   0.07    -0.06   0.16   0.00
     5   8    -0.14   0.02  -0.02     0.07   0.03  -0.03    -0.01  -0.04   0.02
     6   6     0.18  -0.07  -0.03    -0.03   0.13   0.04    -0.02  -0.00   0.01
     7   8    -0.01  -0.01   0.01     0.01  -0.09  -0.06     0.01  -0.11  -0.06
     8   1     0.10  -0.05  -0.14    -0.17   0.14   0.01    -0.03   0.31  -0.00
     9   8    -0.07   0.02  -0.05     0.01  -0.00   0.01    -0.01  -0.02  -0.00
    10   1     0.17   0.12   0.18     0.01  -0.30  -0.08     0.04  -0.14   0.04
    11   1     0.08  -0.12   0.15     0.26   0.22   0.03     0.27  -0.28  -0.03
    12   8    -0.01   0.00  -0.02    -0.11  -0.08   0.06     0.01  -0.01  -0.01
    13   6     0.02   0.07   0.08    -0.09   0.06  -0.07     0.09  -0.04   0.03
    14   1     0.07  -0.14  -0.11     0.14  -0.39   0.07    -0.25   0.32   0.00
    15   8    -0.03  -0.01   0.02    -0.02  -0.04   0.02     0.01   0.01  -0.00
    16   1     0.21   0.05  -0.04    -0.07   0.11   0.04    -0.01   0.05   0.01
    17   1     0.03   0.25   0.14     0.05   0.32   0.20     0.03   0.09   0.07
    18   1    -0.20   0.12  -0.11    -0.11   0.08  -0.07    -0.24   0.16  -0.16
    19   1     0.10   0.04  -0.04     0.09   0.00  -0.04    -0.40  -0.19   0.16
    20   8    -0.03  -0.02  -0.01    -0.00  -0.00   0.01    -0.02  -0.01   0.01
    21   1     0.19   0.17  -0.30     0.11   0.08  -0.07    -0.03  -0.07   0.10
    22   1    -0.04  -0.34   0.11    -0.15   0.01  -0.06     0.17   0.05   0.03
    23   1     0.08   0.12   0.02    -0.10  -0.11   0.01     0.04   0.04  -0.00
    24   1     0.28   0.03  -0.17     0.25   0.04  -0.11    -0.16  -0.03   0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1119.1060              1136.1901              1160.7147
 Red. masses --      3.7895                 3.3513                 2.9776
 Frc consts  --      2.7963                 2.5490                 2.3636
 IR Inten    --    130.4360                 8.2614                39.5947
 RamAct Fr= 1--      6.5414                 4.9381                 3.7910
  Dep-P Fr= 1--      0.5257                 0.7365                 0.5781
  Dep-U Fr= 1--      0.6891                 0.8483                 0.7326
 Alpha2 Fr= 1--      0.0285                 0.0011                 0.0122
 Beta2  Fr= 1--      0.7513                 0.6981                 0.4629
 AlphaG Fr= 1--     -0.0259                 0.0008                -0.0087
 Gamma2 Fr= 1--      1.8380                -0.7371                -0.1981
 Delta2 Fr= 1--      1.2654                -0.4196                 0.3219
 Raman1 Fr= 1--      26.166                 19.752                 15.164
 ROA1   Fr= 1--     216.943                -84.190                 -8.712
 CID1   Fr= 1--       8.291                 -4.262                 -0.574
 Raman2 Fr= 1--       9.015                  8.377                  5.555
 ROA2   Fr= 1--      33.989                -14.334                 -7.329
 CID2   Fr= 1--       3.770                 -1.711                 -1.319
 Raman3 Fr= 1--      18.031                 16.755                 11.110
 ROA3   Fr= 1--     216.943                -84.190                 -8.712
 CID3   Fr= 1--      12.032                 -5.025                 -0.784
 RC180  Fr= 1--       0.378                  0.697                  0.465
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.03  -0.01    -0.02   0.09   0.05    -0.02  -0.12   0.00
     2   6    -0.21  -0.01  -0.05     0.20  -0.10   0.02     0.12  -0.09  -0.09
     3   6     0.00   0.02  -0.07    -0.16  -0.13   0.06    -0.00  -0.00  -0.01
     4   6     0.12   0.06   0.03     0.16  -0.04   0.06    -0.10   0.05  -0.05
     5   8    -0.15  -0.05  -0.03    -0.06   0.01   0.01     0.06  -0.03   0.02
     6   6     0.25   0.14   0.02     0.02   0.09   0.03     0.02   0.23   0.02
     7   8     0.01   0.01   0.01     0.02  -0.03  -0.02    -0.01   0.06   0.02
     8   1     0.19   0.17   0.00    -0.12   0.11   0.05    -0.04  -0.16   0.00
     9   8     0.09  -0.04   0.07    -0.10   0.04  -0.06    -0.05   0.03  -0.02
    10   1    -0.31  -0.09  -0.05     0.24  -0.35   0.00     0.20  -0.19  -0.10
    11   1    -0.10   0.09  -0.06    -0.31  -0.07   0.05     0.04  -0.04  -0.01
    12   8    -0.02  -0.02   0.01     0.07   0.07  -0.05     0.02   0.00  -0.00
    13   6     0.00   0.00  -0.08    -0.08   0.01  -0.11     0.04  -0.03   0.10
    14   1     0.07   0.02   0.04     0.37  -0.00   0.07    -0.37   0.12  -0.06
    15   8    -0.09  -0.11   0.05    -0.01  -0.03   0.02    -0.08  -0.12   0.03
    16   1     0.42   0.24   0.01    -0.15   0.15   0.04     0.13   0.56   0.03
    17   1    -0.03  -0.34  -0.20     0.01  -0.12  -0.10    -0.00   0.16   0.09
    18   1    -0.16   0.15  -0.08    -0.03  -0.02   0.00     0.05  -0.05   0.05
    19   1     0.01  -0.00  -0.01     0.03   0.05  -0.03    -0.07  -0.03   0.04
    20   8    -0.01  -0.00   0.02     0.02   0.01   0.01     0.01   0.01  -0.02
    21   1    -0.10  -0.05   0.12    -0.29  -0.06   0.13     0.11   0.01  -0.07
    22   1    -0.00   0.22  -0.10    -0.06   0.27  -0.14    -0.03  -0.20   0.12
    23   1     0.09   0.15   0.07    -0.15  -0.13   0.02     0.19   0.24   0.06
    24   1    -0.07  -0.01   0.04    -0.13  -0.01   0.09     0.01   0.01  -0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1189.1415              1228.3300              1249.4276
 Red. masses --      1.1651                 1.2601                 1.1551
 Frc consts  --      0.9707                 1.1202                 1.0625
 IR Inten    --     12.2110                 3.9138                10.5409
 RamAct Fr= 1--      2.5206                 2.1584                 4.4915
  Dep-P Fr= 1--      0.7492                 0.4424                 0.7498
  Dep-U Fr= 1--      0.8566                 0.6134                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0136                 0.0000
 Beta2  Fr= 1--      0.3599                 0.2207                 0.6415
 AlphaG Fr= 1--     -0.0004                 0.0046                 0.0010
 Gamma2 Fr= 1--     -2.1874                 1.1495                 0.2688
 Delta2 Fr= 1--     -1.2650                 0.9297                 0.1073
 Raman1 Fr= 1--      10.083                  8.634                 17.966
 ROA1   Fr= 1--    -250.466                140.104                 29.235
 CID1   Fr= 1--     -24.841                 16.228                  1.627
 Raman2 Fr= 1--       4.318                  2.648                  7.698
 ROA2   Fr= 1--     -42.377                 20.151                  5.592
 CID2   Fr= 1--      -9.813                  7.610                  0.726
 Raman3 Fr= 1--       8.637                  5.296                 15.397
 ROA3   Fr= 1--    -250.466                140.104                 29.235
 CID3   Fr= 1--     -29.000                 26.455                  1.899
 RC180  Fr= 1--       0.713                  0.227                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04   0.01    -0.05  -0.02   0.09     0.01   0.00   0.02
     2   6     0.02  -0.02   0.01     0.03  -0.03  -0.03    -0.00  -0.01   0.03
     3   6    -0.01   0.03  -0.03    -0.02  -0.00  -0.04    -0.05   0.01  -0.06
     4   6    -0.03   0.01   0.04     0.03  -0.00   0.03     0.03   0.01   0.00
     5   8     0.00   0.01  -0.02    -0.01   0.01  -0.00    -0.01  -0.00   0.01
     6   6     0.02  -0.02  -0.00    -0.00  -0.05   0.01     0.01  -0.01  -0.00
     7   8    -0.01   0.01  -0.00     0.02  -0.00  -0.02    -0.03  -0.01  -0.01
     8   1     0.33  -0.08   0.01     0.05   0.22   0.11     0.62  -0.11   0.02
     9   8    -0.01   0.00  -0.01    -0.01  -0.02   0.01    -0.00   0.02  -0.01
    10   1     0.17   0.26   0.03     0.34   0.58   0.01    -0.10  -0.12   0.02
    11   1     0.26  -0.26  -0.03     0.06   0.17  -0.03    -0.01   0.33  -0.06
    12   8    -0.01  -0.00   0.01     0.01  -0.00   0.01     0.03  -0.02   0.00
    13   6     0.02   0.01  -0.05    -0.02  -0.01  -0.01    -0.01  -0.02  -0.01
    14   1     0.07  -0.30   0.03     0.02   0.10   0.03     0.11   0.03   0.00
    15   8    -0.01  -0.00  -0.00    -0.01   0.00  -0.01     0.00   0.00   0.00
    16   1     0.01   0.11  -0.01     0.01   0.14   0.01    -0.05   0.04  -0.00
    17   1     0.01   0.23   0.14    -0.01  -0.16  -0.09     0.02   0.39   0.24
    18   1    -0.08   0.06  -0.06    -0.25   0.17  -0.18     0.13  -0.09   0.09
    19   1     0.15   0.07  -0.09    -0.05  -0.03   0.03    -0.31  -0.15   0.15
    20   8     0.00  -0.01   0.03    -0.00   0.00  -0.01    -0.00   0.00  -0.00
    21   1    -0.36  -0.05   0.08     0.27   0.01   0.00     0.14  -0.01   0.01
    22   1     0.37   0.18  -0.07    -0.25  -0.02   0.00    -0.17   0.01  -0.01
    23   1     0.08   0.09   0.00     0.18   0.17  -0.01    -0.02  -0.01   0.00
    24   1    -0.25  -0.05   0.15     0.16   0.03  -0.09     0.07   0.01  -0.05
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1274.0805              1280.5282              1306.9922
 Red. masses --      1.2554                 1.2923                 1.1518
 Frc consts  --      1.2007                 1.2485                 1.1593
 IR Inten    --     19.9903                69.1661                 8.6203
 RamAct Fr= 1--      3.5500                 3.8226                 2.1023
  Dep-P Fr= 1--      0.2730                 0.3571                 0.7446
  Dep-U Fr= 1--      0.4289                 0.5263                 0.8536
 Alpha2 Fr= 1--      0.0394                 0.0328                 0.0002
 Beta2  Fr= 1--      0.2538                 0.3353                 0.2991
 AlphaG Fr= 1--     -0.0039                 0.0237                 0.0017
 Gamma2 Fr= 1--     -0.5844                 0.0563                 0.2514
 Delta2 Fr= 1--     -1.1212                -0.6142                 0.2254
 Raman1 Fr= 1--      14.200                 15.290                  8.409
 ROA1   Fr= 1--     -91.978                -14.247                 31.352
 CID1   Fr= 1--      -6.477                 -0.932                  3.728
 Raman2 Fr= 1--       3.045                  4.024                  3.589
 ROA2   Fr= 1--      -5.055                  6.265                  4.231
 CID2   Fr= 1--      -1.660                  1.557                  1.179
 Raman3 Fr= 1--       6.091                  8.048                  7.178
 ROA3   Fr= 1--     -91.978                -14.247                 31.352
 CID3   Fr= 1--     -15.101                 -1.770                  4.368
 RC180  Fr= 1--      -0.142                  0.053                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.02    -0.02  -0.04   0.01     0.02   0.00   0.00
     2   6     0.01  -0.02  -0.03    -0.02   0.08   0.03     0.01   0.02   0.00
     3   6     0.02   0.01   0.05    -0.00   0.01  -0.01    -0.01   0.00  -0.02
     4   6    -0.02  -0.05  -0.09    -0.01  -0.01  -0.04    -0.05  -0.01  -0.00
     5   8    -0.00   0.01   0.00     0.00  -0.02   0.02    -0.01  -0.01  -0.00
     6   6    -0.02  -0.03   0.03     0.01   0.08  -0.06    -0.06   0.02   0.05
     7   8     0.00  -0.00  -0.01     0.00   0.01   0.01    -0.01  -0.00   0.00
     8   1    -0.20   0.08   0.02     0.09  -0.09   0.01    -0.03  -0.16  -0.01
     9   8     0.00   0.00   0.01     0.00  -0.04  -0.01    -0.00  -0.01  -0.01
    10   1    -0.12   0.16  -0.03     0.53  -0.19   0.05     0.14  -0.13   0.01
    11   1    -0.12   0.54   0.06     0.08   0.32  -0.00     0.05  -0.11  -0.03
    12   8     0.02  -0.01  -0.01     0.01  -0.01   0.01    -0.01   0.00   0.00
    13   6     0.02   0.03   0.01     0.02   0.01   0.02    -0.02  -0.01  -0.02
    14   1     0.18  -0.02  -0.09    -0.04   0.02  -0.05     0.51   0.35   0.01
    15   8    -0.01  -0.00  -0.01     0.01  -0.01   0.02    -0.00  -0.01  -0.01
    16   1     0.13   0.10   0.03    -0.03  -0.31  -0.05     0.57  -0.23   0.07
    17   1    -0.00  -0.03  -0.02    -0.01  -0.09  -0.05     0.00   0.08   0.05
    18   1     0.04  -0.03   0.02    -0.33   0.22  -0.21    -0.05   0.03  -0.03
    19   1    -0.33  -0.16   0.16    -0.10  -0.05   0.05     0.08   0.04  -0.04
    20   8     0.00  -0.00   0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.01
    21   1    -0.37   0.01  -0.05    -0.16   0.01  -0.03     0.21  -0.01   0.03
    22   1     0.34   0.02  -0.00     0.07  -0.03   0.02     0.16   0.06  -0.04
    23   1     0.17   0.17  -0.00    -0.28  -0.30   0.01     0.14   0.13  -0.00
    24   1    -0.17  -0.03   0.08    -0.09  -0.02   0.05     0.09   0.01  -0.05
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1337.3504              1346.4253              1354.5166
 Red. masses --      1.3344                 1.2478                 1.2898
 Frc consts  --      1.4061                 1.3328                 1.3942
 IR Inten    --     31.8658                34.6655                 1.3698
 RamAct Fr= 1--      0.7240                 3.1425                 2.3197
  Dep-P Fr= 1--      0.5865                 0.5214                 0.5442
  Dep-U Fr= 1--      0.7394                 0.6854                 0.7048
 Alpha2 Fr= 1--      0.0022                 0.0140                 0.0092
 Beta2  Fr= 1--      0.0892                 0.3590                 0.2725
 AlphaG Fr= 1--      0.0083                 0.0123                 0.0163
 Gamma2 Fr= 1--      0.1511                -0.4782                -0.0970
 Delta2 Fr= 1--     -0.0676                 0.8058                -0.0523
 Raman1 Fr= 1--       2.896                 12.570                  9.279
 ROA1   Fr= 1--      12.341                -20.122                -10.988
 CID1   Fr= 1--       4.262                 -1.601                 -1.184
 Raman2 Fr= 1--       1.071                  4.308                  3.270
 ROA2   Fr= 1--       4.166                -17.924                 -1.910
 CID2   Fr= 1--       3.892                 -4.161                 -0.584
 Raman3 Fr= 1--       2.141                  8.616                  6.540
 ROA3   Fr= 1--      12.341                -20.122                -10.988
 CID3   Fr= 1--       5.764                 -2.335                 -1.680
 RC180  Fr= 1--       0.479                  0.371                  0.410
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01  -0.04    -0.08  -0.02  -0.04     0.01  -0.01   0.01
     2   6    -0.01  -0.01  -0.00    -0.05  -0.03   0.05     0.01  -0.03   0.00
     3   6    -0.03   0.05   0.04     0.00  -0.02  -0.00     0.03  -0.04  -0.04
     4   6    -0.07   0.05  -0.02     0.01  -0.03   0.00    -0.03  -0.08  -0.02
     5   8     0.02  -0.01   0.04     0.00   0.01  -0.01    -0.00  -0.00   0.04
     6   6     0.04   0.01  -0.04    -0.03  -0.01   0.02     0.05   0.01  -0.06
     7   8     0.02   0.01   0.02     0.02   0.01  -0.00    -0.01  -0.00  -0.01
     8   1    -0.02   0.04  -0.04     0.23   0.51   0.01     0.05   0.15   0.02
     9   8     0.00   0.01  -0.00     0.00   0.04  -0.03     0.00   0.00   0.01
    10   1    -0.03  -0.01  -0.01     0.26  -0.22   0.07    -0.19   0.19  -0.01
    11   1     0.26  -0.08   0.03     0.34   0.15  -0.00    -0.00   0.07  -0.05
    12   8     0.02  -0.01  -0.01    -0.01   0.00   0.02    -0.03   0.01   0.02
    13   6    -0.05  -0.04  -0.03     0.01   0.02   0.01    -0.02   0.02   0.01
    14   1     0.46  -0.17  -0.01    -0.08   0.10  -0.00     0.13   0.68  -0.01
    15   8     0.00  -0.00   0.01     0.00   0.00  -0.00     0.00   0.00   0.03
    16   1    -0.31   0.20  -0.05     0.21   0.04   0.03    -0.25   0.21  -0.07
    17   1    -0.02  -0.28  -0.16    -0.01  -0.25  -0.15     0.01   0.14   0.08
    18   1     0.07  -0.05   0.04     0.35  -0.23   0.22    -0.00   0.00  -0.01
    19   1    -0.24  -0.12   0.11     0.11   0.05  -0.05     0.27   0.14  -0.12
    20   8    -0.01   0.00   0.02     0.00  -0.00  -0.00     0.00  -0.00   0.00
    21   1     0.34  -0.03   0.06    -0.09   0.02  -0.02    -0.05   0.02  -0.03
    22   1     0.32   0.09  -0.05    -0.03  -0.03   0.01     0.23  -0.02   0.01
    23   1    -0.13  -0.12   0.01     0.02   0.03   0.00    -0.20  -0.21   0.01
    24   1     0.18   0.03  -0.11    -0.06  -0.01   0.04    -0.03  -0.01   0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1367.3402              1388.4756              1403.6213
 Red. masses --      1.2083                 1.3584                 1.4155
 Frc consts  --      1.3310                 1.5430                 1.6431
 IR Inten    --      5.4749                24.7013                 3.4643
 RamAct Fr= 1--      0.7710                 3.5133                 5.0618
  Dep-P Fr= 1--      0.5176                 0.7067                 0.7495
  Dep-U Fr= 1--      0.6821                 0.8282                 0.8568
 Alpha2 Fr= 1--      0.0035                 0.0026                 0.0000
 Beta2  Fr= 1--      0.0877                 0.4849                 0.7228
 AlphaG Fr= 1--      0.0002                 0.0026                 0.0006
 Gamma2 Fr= 1--      0.7733                -1.5655                 1.4638
 Delta2 Fr= 1--      0.3983                -0.7475                -0.2520
 Raman1 Fr= 1--       3.084                 14.053                 20.247
 ROA1   Fr= 1--      86.987               -174.213                132.457
 CID1   Fr= 1--      28.207                -12.397                  6.542
 Raman2 Fr= 1--       1.052                  5.819                  8.674
 ROA2   Fr= 1--      15.374                -31.593                 37.147
 CID2   Fr= 1--      14.617                 -5.429                  4.282
 Raman3 Fr= 1--       2.104                 11.638                 17.348
 ROA3   Fr= 1--      86.987               -174.213                132.457
 CID3   Fr= 1--      41.351                -14.969                  7.635
 RC180  Fr= 1--       0.364                  0.656                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.05  -0.04    -0.04   0.02  -0.01     0.01  -0.02   0.01
     2   6     0.04  -0.00  -0.02     0.02   0.07  -0.02    -0.03   0.09  -0.02
     3   6    -0.07  -0.01  -0.01     0.00  -0.04  -0.02     0.05  -0.01   0.00
     4   6    -0.00  -0.03   0.02     0.05  -0.02  -0.01    -0.08   0.01   0.01
     5   8    -0.00   0.01   0.00    -0.00   0.02  -0.01    -0.00   0.01   0.01
     6   6     0.00  -0.01   0.01     0.02  -0.06   0.07     0.04  -0.09   0.04
     7   8     0.01   0.01   0.03     0.00   0.00   0.01    -0.01  -0.01  -0.01
     8   1    -0.06  -0.44  -0.09     0.14  -0.23  -0.03    -0.04   0.08   0.02
     9   8    -0.00  -0.01   0.01     0.00  -0.01   0.00     0.00  -0.01  -0.00
    10   1    -0.25   0.01  -0.04     0.04  -0.35  -0.03     0.26  -0.39  -0.01
    11   1     0.66   0.17  -0.01     0.04   0.17  -0.02    -0.22  -0.01   0.00
    12   8    -0.01  -0.00   0.02    -0.01   0.01   0.01    -0.01   0.01  -0.00
    13   6     0.04   0.03  -0.00    -0.07  -0.03   0.01     0.05   0.03  -0.01
    14   1     0.09   0.13   0.02    -0.32   0.11  -0.02     0.41  -0.02   0.03
    15   8    -0.00  -0.00  -0.01    -0.01  -0.00  -0.04    -0.01   0.00  -0.01
    16   1    -0.07   0.02   0.01    -0.28   0.08   0.06    -0.29   0.38   0.03
    17   1    -0.01  -0.17  -0.10    -0.00  -0.08  -0.05     0.00   0.05   0.03
    18   1    -0.07   0.04  -0.04    -0.10   0.07  -0.07    -0.07   0.05  -0.05
    19   1     0.02   0.01  -0.01     0.14   0.07  -0.06     0.07   0.04  -0.04
    20   8     0.01  -0.01  -0.02    -0.01   0.02   0.02     0.01  -0.02  -0.01
    21   1    -0.09   0.02  -0.03     0.03  -0.03   0.03     0.02   0.04  -0.06
    22   1    -0.33  -0.06   0.02     0.48   0.04  -0.02    -0.35  -0.01   0.01
    23   1     0.05   0.05  -0.00     0.27   0.27  -0.02     0.14   0.15  -0.01
    24   1    -0.18  -0.04   0.10     0.27   0.06  -0.13    -0.27  -0.06   0.13
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1422.4196              1430.1880              1436.9663
 Red. masses --      1.6478                 1.2686                 1.5223
 Frc consts  --      1.9643                 1.5288                 1.8520
 IR Inten    --      4.7108                42.3640                 4.6173
 RamAct Fr= 1--      6.2955                 1.9840                 2.7688
  Dep-P Fr= 1--      0.6692                 0.6970                 0.5367
  Dep-U Fr= 1--      0.8018                 0.8214                 0.6985
 Alpha2 Fr= 1--      0.0090                 0.0018                 0.0114
 Beta2  Fr= 1--      0.8413                 0.2716                 0.3223
 AlphaG Fr= 1--     -0.0208                 0.0176                 0.0336
 Gamma2 Fr= 1--     -0.4675                 0.0501                 0.4245
 Delta2 Fr= 1--     -0.1631                 0.2924                 0.0081
 Raman1 Fr= 1--      25.182                  7.936                 11.075
 ROA1   Fr= 1--     -50.094                 14.167                 41.008
 CID1   Fr= 1--      -1.989                  1.785                  3.703
 Raman2 Fr= 1--      10.095                  3.259                  3.868
 ROA2   Fr= 1--      -9.914                 -1.137                 10.122
 CID2   Fr= 1--      -0.982                 -0.349                  2.617
 Raman3 Fr= 1--      20.191                  6.519                  7.736
 ROA3   Fr= 1--     -50.094                 14.167                 41.008
 CID3   Fr= 1--      -2.481                  2.173                  5.301
 RC180  Fr= 1--       0.604                  0.643                  0.397
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12   0.05   0.02    -0.05   0.03   0.00     0.10   0.01   0.01
     2   6    -0.13  -0.04  -0.02     0.02   0.04  -0.02    -0.03  -0.01  -0.00
     3   6    -0.07   0.06  -0.00     0.02  -0.00  -0.00    -0.03  -0.14   0.00
     4   6     0.05  -0.06   0.01     0.02   0.01  -0.00    -0.01   0.10  -0.01
     5   8    -0.00   0.01   0.00    -0.00   0.01  -0.01     0.00  -0.01  -0.01
     6   6     0.02  -0.04   0.00    -0.06  -0.08  -0.04    -0.01  -0.01  -0.02
     7   8    -0.01  -0.01  -0.01     0.01   0.00   0.01    -0.03  -0.01  -0.02
     8   1    -0.35  -0.27  -0.02     0.11  -0.25  -0.02    -0.30   0.11   0.01
     9   8     0.01   0.02  -0.02     0.00  -0.01   0.01    -0.00  -0.00  -0.00
    10   1     0.60   0.04   0.04    -0.03  -0.07  -0.03     0.07   0.03   0.01
    11   1     0.18  -0.20  -0.01    -0.11   0.00  -0.00     0.27   0.50   0.01
    12   8     0.01  -0.01  -0.01    -0.00  -0.00  -0.00    -0.03   0.02   0.02
    13   6    -0.01   0.00  -0.00     0.01  -0.01   0.00    -0.03  -0.02  -0.00
    14   1    -0.14   0.21   0.00    -0.08  -0.04  -0.01     0.00  -0.39  -0.00
    15   8     0.00   0.01   0.00     0.02   0.02   0.05     0.01   0.01   0.01
    16   1    -0.09   0.24  -0.01     0.50   0.65  -0.06     0.11   0.13  -0.02
    17   1     0.01   0.14   0.09    -0.00  -0.12  -0.07     0.01   0.26   0.14
    18   1     0.20  -0.13   0.13    -0.05   0.03  -0.04     0.01  -0.01   0.01
    19   1    -0.17  -0.09   0.08    -0.00  -0.00   0.00     0.30   0.15  -0.14
    20   8    -0.00   0.01   0.00    -0.01   0.01   0.00     0.00  -0.01   0.00
    21   1    -0.10  -0.02   0.04    -0.10  -0.02   0.02     0.29   0.02  -0.04
    22   1     0.05  -0.04   0.00    -0.00   0.02  -0.00     0.12   0.07  -0.01
    23   1    -0.02  -0.02   0.00    -0.28  -0.27   0.03    -0.08  -0.09   0.01
    24   1     0.08   0.02  -0.04     0.12   0.03  -0.06    -0.03  -0.01   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1444.9234              1450.0553              1515.6148
 Red. masses --      1.5176                 1.3562                 1.0892
 Frc consts  --      1.8668                 1.6801                 1.4742
 IR Inten    --      4.6049                99.4391                 1.1354
 RamAct Fr= 1--      3.8962                 3.2991                 5.1401
  Dep-P Fr= 1--      0.5606                 0.2833                 0.7306
  Dep-U Fr= 1--      0.7184                 0.4415                 0.8443
 Alpha2 Fr= 1--      0.0140                 0.0355                 0.0017
 Beta2  Fr= 1--      0.4665                 0.2428                 0.7233
 AlphaG Fr= 1--      0.0059                 0.0358                -0.0008
 Gamma2 Fr= 1--      0.3668                -0.7058                -0.2282
 Delta2 Fr= 1--      0.2955                -0.4427                -0.0508
 Raman1 Fr= 1--      15.585                 13.196                 20.560
 ROA1   Fr= 1--      44.665                -81.922                -23.531
 CID1   Fr= 1--       2.866                 -6.208                 -1.144
 Raman2 Fr= 1--       5.598                  2.913                  8.680
 ROA2   Fr= 1--       6.438                -13.398                 -5.071
 CID2   Fr= 1--       1.150                 -4.599                 -0.584
 Raman3 Fr= 1--      11.197                  5.826                 17.360
 ROA3   Fr= 1--      44.665                -81.922                -23.531
 CID3   Fr= 1--       3.989                -14.060                 -1.356
 RC180  Fr= 1--       0.437                 -0.117                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.11  -0.01    -0.01   0.03   0.00    -0.00   0.00   0.00
     2   6     0.05   0.09   0.01    -0.02  -0.03   0.00    -0.00  -0.00  -0.00
     3   6    -0.09   0.06   0.01     0.03  -0.05  -0.00     0.01  -0.01  -0.00
     4   6     0.02  -0.02   0.00    -0.07   0.02  -0.01    -0.01   0.01  -0.00
     5   8    -0.00   0.01  -0.00     0.01  -0.01   0.01    -0.00  -0.00   0.00
     6   6    -0.01  -0.03   0.00     0.02   0.02  -0.00     0.00  -0.00   0.00
     7   8    -0.02  -0.01  -0.02     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.21   0.56   0.04     0.01  -0.10  -0.01     0.01  -0.01   0.00
     9   8    -0.01  -0.03   0.01     0.00   0.01  -0.01     0.00   0.00  -0.00
    10   1    -0.25  -0.24  -0.03     0.09   0.08   0.01     0.00   0.00   0.00
    11   1     0.34  -0.13   0.00    -0.05   0.14   0.00    -0.03   0.04  -0.00
    12   8     0.02  -0.01  -0.00    -0.02   0.01   0.01    -0.00   0.00   0.00
    13   6     0.03  -0.03  -0.01     0.09  -0.07  -0.01    -0.01   0.06  -0.05
    14   1    -0.04   0.05   0.00     0.21  -0.07  -0.00     0.04  -0.04  -0.00
    15   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    16   1     0.08   0.11   0.00    -0.11  -0.09   0.00     0.00   0.00   0.00
    17   1     0.01   0.20   0.12     0.00  -0.02  -0.01    -0.00   0.00   0.00
    18   1    -0.22   0.14  -0.13     0.08  -0.05   0.04     0.00  -0.00   0.00
    19   1    -0.11  -0.06   0.06     0.16   0.08  -0.06     0.02   0.01  -0.01
    20   8    -0.02   0.02   0.01    -0.04   0.05   0.02     0.00   0.00  -0.00
    21   1    -0.23  -0.08   0.10    -0.52  -0.16   0.12     0.01  -0.13   0.70
    22   1    -0.07  -0.02  -0.00    -0.24   0.08  -0.02     0.06  -0.69   0.04
    23   1    -0.01  -0.00   0.00     0.02   0.02  -0.00     0.00  -0.00   0.00
    24   1     0.26   0.07  -0.13     0.58   0.15  -0.29    -0.02   0.00   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   2976.0150              2979.0203              2987.5053
 Red. masses --      1.0811                 1.0725                 1.0800
 Frc consts  --      5.6414                 5.6080                 5.6795
 IR Inten    --      7.2280                31.0814                 2.4421
 RamAct Fr= 1--     67.8284               143.5807               194.2206
  Dep-P Fr= 1--      0.1675                 0.1240                 0.1601
  Dep-U Fr= 1--      0.2870                 0.2206                 0.2761
 Alpha2 Fr= 1--      1.0027                 2.3696                 2.9258
 Beta2  Fr= 1--      3.2439                 5.2783                 8.9368
 AlphaG Fr= 1--      0.1575                 0.8490                 0.1749
 Gamma2 Fr= 1--      1.5674                 5.7120                -3.4352
 Delta2 Fr= 1--     -0.4398                 3.3368                -1.4315
 Raman1 Fr= 1--     271.314                574.323                776.882
 ROA1   Fr= 1--     136.401                655.126               -375.587
 CID1   Fr= 1--       0.503                  1.141                 -0.483
 Raman2 Fr= 1--      38.927                 63.339                107.242
 ROA2   Fr= 1--      41.137                110.392                -70.993
 CID2   Fr= 1--       1.057                  1.743                 -0.662
 Raman3 Fr= 1--      77.854                126.679                214.484
 ROA3   Fr= 1--     136.401                655.126               -375.587
 CID3   Fr= 1--       1.752                  5.172                 -1.751
 RC180  Fr= 1--      -0.426                 -0.559                 -0.448
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.02     0.00   0.00  -0.01     0.00  -0.01   0.05
     2   6     0.01   0.00  -0.08     0.00   0.00  -0.01     0.00   0.00  -0.00
     3   6     0.00   0.00   0.01     0.00  -0.00   0.01    -0.00  -0.00  -0.06
     4   6    -0.00  -0.00  -0.01     0.00  -0.00   0.03    -0.00   0.00   0.03
     5   8     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00   0.00   0.01     0.00   0.00   0.00     0.00  -0.00  -0.01
     7   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.00   0.02  -0.24    -0.00  -0.01   0.09     0.01   0.05  -0.59
     9   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   1    -0.07  -0.03   0.92    -0.01  -0.00   0.13    -0.00  -0.00   0.05
    11   1    -0.00   0.00  -0.18    -0.00   0.00  -0.13     0.00  -0.01   0.72
    12   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   6     0.00  -0.00   0.01    -0.01   0.00  -0.07    -0.00  -0.00  -0.00
    14   1    -0.00  -0.00   0.13     0.01   0.00  -0.32     0.01   0.00  -0.33
    15   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    16   1     0.00  -0.00  -0.16    -0.00   0.00  -0.02    -0.00   0.00   0.10
    17   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    18   1    -0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    20   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    21   1    -0.00   0.01   0.00     0.01  -0.15  -0.05     0.00   0.00   0.00
    22   1    -0.00  -0.01  -0.10     0.02   0.10   0.90     0.00   0.00   0.05
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    24   1    -0.00  -0.00  -0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   2994.5604              3007.4540              3018.5284
 Red. masses --      1.0825                 1.0849                 1.0863
 Frc consts  --      5.7191                 5.7815                 5.8318
 IR Inten    --      2.1779                27.6451               130.2110
 RamAct Fr= 1--     14.0146                36.4216                50.3176
  Dep-P Fr= 1--      0.3941                 0.1614                 0.1923
  Dep-U Fr= 1--      0.5653                 0.2780                 0.3226
 Alpha2 Fr= 1--      0.1060                 0.5469                 0.6973
 Beta2  Fr= 1--      1.3205                 1.6873                 2.7056
 AlphaG Fr= 1--      0.0406                -0.5858                -0.6977
 Gamma2 Fr= 1--     -0.6856                 2.8585                -4.5262
 Delta2 Fr= 1--     -2.8854                 3.3450                -0.2812
 Raman1 Fr= 1--      56.058                145.686                201.270
 ROA1   Fr= 1--    -158.152                381.457               -443.517
 CID1   Fr= 1--      -2.821                  2.618                 -2.204
 Raman2 Fr= 1--      15.846                 20.248                 32.468
 ROA2   Fr= 1--       6.628                 41.844               -106.380
 CID2   Fr= 1--       0.418                  2.067                 -3.277
 Raman3 Fr= 1--      31.692                 40.496                 64.935
 ROA3   Fr= 1--    -158.152                381.457               -443.517
 CID3   Fr= 1--      -4.990                  9.420                 -6.830
 RC180  Fr= 1--       0.131                 -0.444                 -0.355
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.05    -0.00  -0.00   0.02     0.00   0.00  -0.03
     2   6    -0.00  -0.00   0.02    -0.00  -0.00   0.00     0.00   0.00  -0.02
     3   6     0.00   0.00   0.02     0.00  -0.00   0.04    -0.00   0.00  -0.03
     4   6     0.00  -0.00  -0.05    -0.00   0.00   0.04     0.00   0.00  -0.03
     5   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.01     0.00  -0.00  -0.05     0.00  -0.00  -0.06
     7   8    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   1     0.01   0.05  -0.59    -0.00   0.02  -0.27    -0.01  -0.04   0.39
     9   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    10   1     0.02   0.01  -0.23     0.00   0.00  -0.02    -0.02  -0.01   0.26
    11   1    -0.01   0.01  -0.22    -0.00   0.01  -0.52     0.01  -0.00   0.32
    12   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   6    -0.00   0.00  -0.02     0.00  -0.00   0.02    -0.00   0.00  -0.01
    14   1    -0.02  -0.01   0.65     0.01  -0.00  -0.50    -0.02  -0.00   0.30
    15   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    16   1     0.00   0.00   0.18    -0.01   0.01   0.60    -0.01   0.02   0.75
    17   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    19   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    20   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    21   1     0.00  -0.08  -0.03    -0.00   0.07   0.02     0.00  -0.04  -0.01
    22   1     0.01   0.03   0.28    -0.01  -0.02  -0.20     0.01   0.01   0.09
    23   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.01    -0.01  -0.01  -0.01
    24   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3092.0572              3736.4656              3760.0278
 Red. masses --      1.0924                 1.0659                 1.0650
 Frc consts  --      6.1535                 8.7680                 8.8709
 IR Inten    --     24.3998               119.5738                38.4894
 RamAct Fr= 1--    108.7027                65.3349                85.7611
  Dep-P Fr= 1--      0.3035                 0.1000                 0.1524
  Dep-U Fr= 1--      0.4657                 0.1818                 0.2645
 Alpha2 Fr= 1--      1.1033                 1.1439                 1.3176
 Beta2  Fr= 1--      8.4363                 1.9797                 3.7810
 AlphaG Fr= 1--     -0.7596                -0.1266                -0.2743
 Gamma2 Fr= 1--     -6.4557                -1.5279                -3.5100
 Delta2 Fr= 1--     -2.4851                -0.5546                -1.2293
 Raman1 Fr= 1--     434.811                261.340                343.045
 ROA1   Fr= 1--    -699.274               -164.428               -376.296
 CID1   Fr= 1--      -1.608                 -0.629                 -1.097
 Raman2 Fr= 1--     101.236                 23.757                 45.372
 ROA2   Fr= 1--    -135.057                -32.234                -74.405
 CID2   Fr= 1--      -1.334                 -1.357                 -1.640
 Raman3 Fr= 1--     202.471                 47.513                 90.744
 ROA3   Fr= 1--    -699.274               -164.428               -376.296
 CID3   Fr= 1--      -3.454                 -3.461                 -4.147
 RC180  Fr= 1--      -0.069                 -0.636                 -0.471
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     7   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     9   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   1    -0.00   0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    12   8     0.00  -0.00   0.00     0.00  -0.01  -0.00    -0.00   0.00   0.00
    13   6     0.01  -0.08  -0.03     0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   1     0.00   0.00   0.05    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.06
    16   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.01
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.00   0.00
    18   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.04  -0.04   0.01
    19   1     0.00  -0.00  -0.00    -0.03   0.09   0.02     0.00  -0.00  -0.00
    20   8    -0.00   0.00   0.00     0.01  -0.06  -0.00    -0.00  -0.00  -0.00
    21   1    -0.08   0.95   0.23     0.00   0.02   0.00    -0.00   0.00   0.00
    22   1     0.01   0.00   0.16     0.00   0.00  -0.01    -0.00  -0.00  -0.00
    23   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.12  -0.17   0.97
    24   1     0.01  -0.02  -0.01    -0.13   0.98   0.06     0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3777.3655              3779.8882              3792.9608
 Red. masses --      1.0658                 1.0658                 1.0660
 Frc consts  --      8.9602                 8.9720                 9.0360
 IR Inten    --     45.7416                49.4016                60.3985
 RamAct Fr= 1--     77.8332                93.8113               104.1484
  Dep-P Fr= 1--      0.1740                 0.2081                 0.1791
  Dep-U Fr= 1--      0.2965                 0.3445                 0.3038
 Alpha2 Fr= 1--      1.1314                 1.2469                 1.4942
 Beta2  Fr= 1--      3.8461                 5.3859                 5.2730
 AlphaG Fr= 1--     -0.5527                -0.4762                 0.5879
 Gamma2 Fr= 1--     -2.9255                 0.4490                 2.5689
 Delta2 Fr= 1--      1.4359                 2.5668                -0.4618
 Raman1 Fr= 1--     311.333                375.245                416.594
 ROA1   Fr= 1--    -234.904                125.237                231.838
 CID1   Fr= 1--      -0.755                  0.334                  0.557
 Raman2 Fr= 1--      46.153                 64.631                 63.276
 ROA2   Fr= 1--     -81.700                 -9.760                 65.348
 CID2   Fr= 1--      -1.770                 -0.151                  1.033
 Raman3 Fr= 1--      92.305                129.263                126.552
 ROA3   Fr= 1--    -234.904                125.237                231.838
 CID3   Fr= 1--      -2.545                  0.969                  1.832
 RC180  Fr= 1--      -0.407                 -0.311                 -0.392
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.06   0.02  -0.02
     8   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   8     0.00   0.00  -0.00    -0.04  -0.05   0.01    -0.00  -0.00   0.00
    10   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   8     0.02  -0.06  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    16   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    17   1     0.01  -0.01   0.00    -0.03   0.01  -0.01     0.92  -0.28   0.27
    18   1    -0.00  -0.00   0.00     0.66   0.73  -0.15     0.02   0.02  -0.01
    19   1    -0.29   0.92   0.22    -0.00   0.00   0.00     0.00  -0.01  -0.00
    20   8    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    21   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   1     0.00  -0.00   0.00     0.01  -0.01   0.05    -0.00   0.00  -0.01
    24   1     0.01  -0.10  -0.01    -0.00   0.00   0.00    -0.00   0.01   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  8 and mass  15.99491
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  8 and mass  15.99491
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Molecular mass:   180.06339 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1376.673832454.181313661.00849
           X            0.99998  -0.00613   0.00178
           Y            0.00614   0.99997  -0.00485
           Z           -0.00175   0.00486   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06292     0.03529     0.02366
 Rotational constants (GHZ):           1.31094     0.73537     0.49296
 Zero-point vibrational energy     517141.2 (Joules/Mol)
                                  123.59972 (Kcal/Mol)
 Warning -- explicit consideration of  22 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     97.63   153.77   170.52   236.73   301.94
          (Kelvin)            332.60   358.12   408.01   427.25   475.28
                              486.02   535.68   565.68   573.06   581.31
                              605.62   642.19   689.12   720.36   793.27
                              860.82   891.98   958.15  1294.35  1435.48
                             1453.70  1472.46  1509.95  1553.43  1568.83
                             1581.63  1588.58  1603.18  1610.14  1634.72
                             1670.01  1710.91  1767.29  1797.65  1833.12
                             1842.39  1880.47  1924.15  1937.21  1948.85
                             1967.30  1997.71  2019.50  2046.54  2057.72
                             2067.47  2078.92  2086.31  2180.63  4281.82
                             4286.15  4298.35  4308.50  4327.06  4342.99
                             4448.78  5375.94  5409.84  5434.79  5438.42
                             5457.22
 
 Zero-point correction=                           0.196969 (Hartree/Particle)
 Thermal correction to Energy=                    0.209276
 Thermal correction to Enthalpy=                  0.210221
 Thermal correction to Gibbs Free Energy=         0.159487
 Sum of electronic and zero-point Energies=           -687.312263
 Sum of electronic and thermal Energies=              -687.299956
 Sum of electronic and thermal Enthalpies=            -687.299012
 Sum of electronic and thermal Free Energies=         -687.349745
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  131.323             47.395            106.779
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.471
 Rotational               0.889              2.981             30.893
 Vibrational            129.546             41.433             34.415
 Vibration     1          0.598              1.970              4.215
 Vibration     2          0.606              1.944              3.325
 Vibration     3          0.609              1.934              3.124
 Vibration     4          0.623              1.886              2.497
 Vibration     5          0.642              1.826              2.045
 Vibration     6          0.653              1.793              1.870
 Vibration     7          0.662              1.765              1.738
 Vibration     8          0.682              1.704              1.512
 Vibration     9          0.691              1.679              1.434
 Vibration    10          0.713              1.615              1.258
 Vibration    11          0.718              1.600              1.223
 Vibration    12          0.744              1.529              1.070
 Vibration    13          0.760              1.485              0.988
 Vibration    14          0.765              1.474              0.969
 Vibration    15          0.769              1.461              0.948
 Vibration    16          0.783              1.425              0.889
 Vibration    17          0.806              1.369              0.807
 Vibration    18          0.835              1.297              0.713
 Vibration    19          0.856              1.249              0.656
 Vibration    20          0.907              1.137              0.541
 Vibration    21          0.956              1.035              0.453
 Vibration    22          0.980              0.990              0.417
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.437799D-73        -73.358726       -168.914708
 Total V=0       0.173981D+18         17.240501         39.697720
 Vib (Bot)       0.366157D-87        -87.436332       -201.329595
 Vib (Bot)    1  0.304036D+01          0.482925          1.111975
 Vib (Bot)    2  0.191756D+01          0.282749          0.651054
 Vib (Bot)    3  0.172489D+01          0.236761          0.545163
 Vib (Bot)    4  0.122694D+01          0.088824          0.204525
 Vib (Bot)    5  0.946486D+00         -0.023886         -0.054999
 Vib (Bot)    6  0.851576D+00         -0.069777         -0.160667
 Vib (Bot)    7  0.784521D+00         -0.105395         -0.242682
 Vib (Bot)    8  0.676684D+00         -0.169614         -0.390551
 Vib (Bot)    9  0.641523D+00         -0.192788         -0.443911
 Vib (Bot)   10  0.565501D+00         -0.247567         -0.570044
 Vib (Bot)   11  0.550452D+00         -0.259281         -0.597016
 Vib (Bot)   12  0.488218D+00         -0.311386         -0.716993
 Vib (Bot)   13  0.455586D+00         -0.341430         -0.786172
 Vib (Bot)   14  0.448058D+00         -0.348666         -0.802833
 Vib (Bot)   15  0.439843D+00         -0.356703         -0.821338
 Vib (Bot)   16  0.416851D+00         -0.380019         -0.875027
 Vib (Bot)   17  0.385339D+00         -0.414157         -0.953631
 Vib (Bot)   18  0.349494D+00         -0.456561         -1.051270
 Vib (Bot)   19  0.328066D+00         -0.484038         -1.114539
 Vib (Bot)   20  0.284262D+00         -0.546281         -1.257859
 Vib (Bot)   21  0.250008D+00         -0.602045         -1.386261
 Vib (Bot)   22  0.235897D+00         -0.627278         -1.444360
 Vib (V=0)       0.145510D+04          3.162894          7.282832
 Vib (V=0)    1  0.358120D+01          0.554028          1.275697
 Vib (V=0)    2  0.248168D+01          0.394745          0.908934
 Vib (V=0)    3  0.229590D+01          0.360952          0.831124
 Vib (V=0)    4  0.182491D+01          0.261242          0.601531
 Vib (V=0)    5  0.157044D+01          0.196021          0.451354
 Vib (V=0)    6  0.148751D+01          0.172461          0.397105
 Vib (V=0)    7  0.143031D+01          0.155430          0.357890
 Vib (V=0)    8  0.134137D+01          0.127548          0.293690
 Vib (V=0)    9  0.131336D+01          0.118383          0.272587
 Vib (V=0)   10  0.125485D+01          0.098590          0.227012
 Vib (V=0)   11  0.124364D+01          0.094694          0.218041
 Vib (V=0)   12  0.119883D+01          0.078756          0.181342
 Vib (V=0)   13  0.117643D+01          0.070566          0.162485
 Vib (V=0)   14  0.117138D+01          0.068699          0.158185
 Vib (V=0)   15  0.116593D+01          0.066672          0.153518
 Vib (V=0)   16  0.115097D+01          0.061065          0.140607
 Vib (V=0)   17  0.113126D+01          0.053562          0.123330
 Vib (V=0)   18  0.111004D+01          0.045338          0.104394
 Vib (V=0)   19  0.109802D+01          0.040610          0.093508
 Vib (V=0)   20  0.107516D+01          0.031472          0.072466
 Vib (V=0)   21  0.105902D+01          0.024904          0.057345
 Vib (V=0)   22  0.105285D+01          0.022368          0.051504
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.949712D+08          7.977592         18.369084
 Rotational      0.125897D+07          6.100015         14.045803
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333                   3332222                                    11111111111111111111111111111                                  
   77777                   0009999                                    544444433333322221111110000009  9    6655544443333322222 111   
   98763                   9109877                                    154332086543087428631109984219  0    6295074209973398431 6106  
   30706                   2975896                                    605702487567714989169449009308  0    6081196148328074910 5978  
 
   XXXXX                   XXXXXXX                                    XXXXXXXXXXXXXXXXXXXXXXXXXXXXXX  X    XXXXXXXXXXXXXXXXXXX XXXX  
   XXXXX                   XXX  X                                      X  X  X  XX XX   X XXXXX XXXX       X  XX X XX X X X          
   XXXXX                    XX  X                                      X  X     XX X    X XXXXX X XX          XX   XX X X            
   XXXXX                    X                                          X  X        X    X XXXXX   XX           X   XX X X            
   XX  X                    X                                          X           X      XXXXX    X           X   XX X X            
   X   X                    X                                          X           X      XXXXX    X           X   XX X              
       X                    X                                          X           X      X XXX    X           X   XX X              
       X                    X                                          X                  X XXX    X           X   XX X              
       X                    X                                          X                  X XXX    X           X   X                 
       X                    X                                                             X  XX    X           X   X                 
       X                    X                                                             X  XX    X           X   X                 
                            X                                                             X  XX    X           X   X                 
                                                                                             XX                X   X                 
                                                                                             XX                    X                 
                                                                                             XX                    X                 
                                                                                             XX                    X                 
                                                                                             XX                    X                 
                                                                                             XX                                      
                                                                                              X                                      
                                                                                              X                                      
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000010123    0.000039524    0.000009867
      2        6          -0.000043983    0.000004406   -0.000021617
      3        6           0.000012114   -0.000013939   -0.000005191
      4        6           0.000044431    0.000051519   -0.000012009
      5        8          -0.000062337   -0.000030079    0.000007063
      6        6           0.000053374   -0.000000236    0.000015720
      7        8           0.000003876   -0.000020702   -0.000011640
      8        1          -0.000000883   -0.000001263   -0.000008741
      9        8           0.000027652   -0.000011234    0.000007127
     10        1           0.000001535   -0.000001794    0.000007019
     11        1          -0.000003177    0.000003701    0.000004390
     12        8          -0.000009518   -0.000005354   -0.000004296
     13        6           0.000000173   -0.000002943   -0.000000821
     14        1          -0.000004902   -0.000006538    0.000004942
     15        8          -0.000020858   -0.000013476    0.000008050
     16        1          -0.000001748   -0.000003312   -0.000002872
     17        1           0.000001416   -0.000003521   -0.000001196
     18        1           0.000001339   -0.000000168    0.000000083
     19        1           0.000001935   -0.000000762    0.000001211
     20        8          -0.000001702    0.000003951   -0.000000599
     21        1           0.000002953    0.000001151    0.000003038
     22        1           0.000002687    0.000005495   -0.000000024
     23        1           0.000004179    0.000001510   -0.000005942
     24        1           0.000001566    0.000004065    0.000006439
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000062337 RMS     0.000016714
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.116509D+03  0.119040D+01 -0.362865D+00
      2   0.119040D+01  0.104166D+03 -0.185726D+01
      3  -0.362865D+00 -0.185726D+01  0.870556D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.226122D+01 -0.472506D+01  0.692505D+01
      2  -0.385797D+01 -0.619969D-02  0.447465D+01
      3  -0.694881D+01 -0.110926D+02  0.168223D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.285089D+02 -0.129563D+02 -0.183094D+02
      2  -0.236669D+02  0.150433D+02  0.121862D+02
      3  -0.484201D+01 -0.208702D+01  0.612314D+01
      4  -0.213224D+02 -0.981365D+01 -0.113439D+01
      5  -0.800280D+01 -0.282383D+01  0.673151D+01
      6  -0.616831D-02  0.146368D+02 -0.131806D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.295722D+01  0.204912D+01 -0.710510D+00  0.153389D+01  0.223311D+01
      2   0.204912D+01  0.206123D+01  0.204700D+00  0.223311D+01 -0.367737D+01
      3  -0.710510D+00  0.204700D+00 -0.632209D+00  0.304870D+00 -0.110933D+01
                 6             7             8             9            10 
      1   0.304870D+00 -0.115502D+01  0.518699D+00 -0.541466D+00  0.311957D+01
      2  -0.110933D+01  0.518699D+00 -0.217668D+01 -0.610021D+00 -0.182789D+01
      3   0.795999D+00 -0.541466D+00 -0.610021D+00  0.881892D+01  0.109312D+01
                11            12            13            14            15 
      1  -0.182789D+01  0.109312D+01 -0.252513D+01 -0.204385D+01 -0.555630D+00
      2  -0.149647D+01 -0.297840D+00 -0.204385D+01  0.192971D+01  0.710121D+00
      3  -0.297840D+00 -0.132366D+01 -0.555630D+00  0.710121D+00  0.150660D+01
                16            17            18            19            20 
      1   0.194164D+01 -0.803019D+00  0.316394D+00  0.156534D+01 -0.221553D+01
      2  -0.803019D+00  0.999889D+00  0.553051D+00 -0.221553D+01 -0.179088D+01
      3   0.316394D+00  0.553051D+00 -0.930116D+01  0.828675D+00  0.168025D+00
                21            22            23            24            25 
      1   0.828675D+00 -0.349740D+01 -0.305901D+01  0.129203D+00  0.190053D+01
      2   0.168025D+00 -0.305901D+01  0.263172D+01  0.787596D+00  0.295090D+00
      3   0.936327D+00  0.129203D+00  0.787596D+00  0.141654D+01  0.109577D+00
                26            27            28            29            30 
      1   0.295090D+00  0.109577D+00  0.534501D+00  0.371688D+01 -0.109314D+01
      2   0.181612D+01  0.629601D+00  0.371688D+01  0.154942D+01  0.540871D-01
      3   0.629601D+00 -0.835477D+01 -0.109314D+01  0.540871D-01 -0.109967D+01
                31            32            33            34            35 
      1   0.375008D+01  0.300336D+01  0.148904D-01 -0.129904D+01  0.232431D+00
      2   0.300336D+01 -0.364030D+01 -0.897736D+00  0.232431D+00 -0.181257D+01
      3   0.148904D-01 -0.897736D+00 -0.748951D+00 -0.404010D+00 -0.284084D-01
                36            37            38            39            40 
      1  -0.404010D+00  0.197311D+01 -0.321394D+01  0.623477D+00 -0.438070D+01
      2  -0.284084D-01 -0.321394D+01 -0.425290D+00 -0.535982D+00 -0.100316D+01
      3   0.898783D+01  0.623477D+00 -0.535982D+00  0.288634D-01 -0.754225D-01
                41            42            43            44            45 
      1  -0.100316D+01 -0.754225D-01  0.290814D+01  0.175922D+00  0.261256D+00
      2  -0.310815D+01  0.947237D+00  0.175922D+00  0.123657D+01 -0.643294D+00
      3   0.947237D+00  0.717955D+00  0.261256D+00 -0.643294D+00 -0.171935D+01
                46            47            48            49            50 
      1  -0.440823D+01  0.735827D+00 -0.274336D+00  0.313720D+01  0.201432D+01
      2   0.735827D+00  0.192504D+01  0.965295D+00  0.201432D+01 -0.178631D+01
      3  -0.274336D+00  0.965295D+00 -0.560387D+00  0.118844D+00 -0.635772D+00
                51            52            53            54            55 
      1   0.118844D+00 -0.151963D+01  0.408805D+00 -0.129643D+00  0.462360D+01
      2  -0.635772D+00  0.408805D+00 -0.144266D+01 -0.138210D+00 -0.112802D+01
      3  -0.264345D+01 -0.129643D+00 -0.138210D+00  0.936689D+01  0.128115D+01
                56            57            58            59            60 
      1  -0.112802D+01  0.128115D+01 -0.415051D+00  0.911182D-02 -0.290555D+00
      2   0.192771D+01 -0.167915D+00  0.911182D-02  0.784269D+01  0.140328D+01
      3  -0.167915D+00  0.883030D+00 -0.290555D+00  0.140328D+01 -0.314197D+00
                61            62            63            64            65 
      1   0.201017D+01 -0.103241D+01  0.107853D+00  0.469975D+00 -0.340086D+00
      2  -0.103241D+01  0.342249D+01  0.152489D+01 -0.340086D+00 -0.354586D+00
      3   0.107853D+00  0.152489D+01  0.125484D+00 -0.898865D+00 -0.166708D-01
                66            67            68            69            70 
      1  -0.898865D+00 -0.196308D+00 -0.339804D+00 -0.198725D-02 -0.167896D+01
      2  -0.166708D-01 -0.339804D+00  0.766125D+00 -0.105777D+01  0.116113D+00
      3   0.189077D+00 -0.198725D-02 -0.105777D+01  0.366044D+00  0.241374D-01
                71            72            73            74            75 
      1   0.116113D+00  0.241374D-01 -0.358693D+01  0.354530D+01 -0.109892D+01
      2  -0.184249D+01  0.835544D+00  0.354530D+01  0.890675D+00 -0.937389D-01
      3   0.835544D+00 -0.775739D+01 -0.109892D+01 -0.937389D-01  0.112480D+01
                76            77            78            79            80 
      1   0.683760D+01 -0.327419D+00  0.379583D+00 -0.320883D+01  0.297860D+00
      2  -0.327419D+00  0.345121D+01 -0.896247D+00  0.297860D+00 -0.109953D+01
      3   0.379583D+00 -0.896247D+00  0.549259D+00 -0.124799D+01  0.462155D+00
                81            82            83            84            85 
      1  -0.124799D+01 -0.689931D+00  0.363631D+00  0.102669D+01  0.238561D+00
      2   0.462155D+00  0.363631D+00  0.276041D+00  0.527728D-01  0.246378D+00
      3  -0.706637D-01  0.102669D+01  0.527728D-01 -0.293422D+00  0.942452D-01
                86            87            88            89            90 
      1   0.246378D+00  0.942452D-01  0.199282D+01  0.127403D+00 -0.752822D+00
      2  -0.499952D+00  0.104171D+01  0.127403D+00  0.155455D+01 -0.306041D+00
      3   0.104171D+01 -0.681232D+00 -0.752822D+00 -0.306041D+00  0.800241D+01
                91            92            93            94            95 
      1  -0.261664D+00  0.198781D+00  0.100665D+01  0.326768D+00  0.479758D+00
      2   0.198781D+00  0.451775D+00  0.510873D-01  0.479758D+00 -0.390755D+00
      3   0.100665D+01  0.510873D-01 -0.685702D-01  0.629814D-01  0.872304D+00
                96            97            98            99           100 
      1   0.629814D-01  0.181240D+01 -0.243031D-01  0.318647D+00  0.609955D+01
      2   0.872304D+00 -0.243031D-01  0.166187D+01  0.143826D+00  0.202675D+01
      3  -0.309948D+00  0.318647D+00  0.143826D+00  0.758761D+01 -0.824615D+00
               101           102           103           104           105 
      1   0.202675D+01 -0.824615D+00  0.857150D+00  0.312113D+01  0.138899D+00
      2   0.367798D+01  0.128512D+00  0.312113D+01 -0.347007D+01 -0.974698D+00
      3   0.128512D+00 -0.167684D+00  0.138899D+00 -0.974698D+00 -0.934371D+00
               106           107           108           109           110 
      1  -0.193347D+01 -0.506696D+00  0.105947D+01  0.125789D+01 -0.313756D+01
      2  -0.506696D+00 -0.224632D+01  0.441362D+00 -0.313756D+01  0.867439D+00
      3   0.105947D+01  0.441362D+00 -0.179556D-01  0.181300D+01 -0.460595D+00
               111           112           113           114           115 
      1   0.181300D+01 -0.301505D+01 -0.189678D+01  0.330587D-01  0.309128D+01
      2  -0.460595D+00 -0.189678D+01  0.707350D+01  0.137296D+01  0.487722D-01
      3   0.145032D+01  0.330587D-01  0.137296D+01 -0.512920D+00 -0.171856D+00
               116           117           118           119           120 
      1   0.487722D-01 -0.171856D+00  0.857783D+00 -0.617891D+00 -0.102872D+01
      2   0.147947D+01  0.909169D+00 -0.617891D+00 -0.787915D-01 -0.455170D-01
      3   0.909169D+00 -0.851130D+01 -0.102872D+01 -0.455170D-01  0.736976D+00
               121           122           123           124           125 
      1  -0.695448D+00 -0.111673D+00 -0.620632D-01 -0.241165D+01 -0.108333D+00
      2  -0.111673D+00  0.205408D+00 -0.966200D+00 -0.108333D+00 -0.129984D+01
      3  -0.620632D-01 -0.966200D+00 -0.136908D+00  0.941111D+00 -0.493998D+00
               126           127           128           129           130 
      1   0.941111D+00 -0.425233D+01 -0.263040D+01  0.115371D+00 -0.290792D+01
      2  -0.493998D+00 -0.263040D+01 -0.293169D+01 -0.627611D-01 -0.295573D+01
      3  -0.780120D+01  0.115371D+00 -0.627611D-01  0.228253D+00 -0.460975D+00
               131           132           133           134           135 
      1  -0.295573D+01 -0.460975D+00 -0.834211D+00 -0.948326D+00  0.229910D+00
      2  -0.540905D+01 -0.589242D+00 -0.948326D+00 -0.199245D+01  0.120553D+01
      3  -0.589242D+00  0.158162D+01  0.229910D+00  0.120553D+01 -0.572925D+01
               136           137           138           139           140 
      1  -0.122029D-01 -0.395592D+00 -0.119289D+01 -0.494209D+00 -0.599711D+00
      2  -0.395592D+00 -0.429533D+00 -0.848565D-01 -0.599711D+00 -0.342783D+00
      3  -0.119289D+01 -0.848565D-01 -0.186288D+00  0.106944D+00 -0.940372D+00
               141           142           143           144           145 
      1   0.106944D+00 -0.224556D+01 -0.385216D+00 -0.997515D+00 -0.602339D+01
      2  -0.940372D+00 -0.385216D+00 -0.148825D+01 -0.122190D+01  0.342843D+01
      3  -0.897563D-01 -0.997515D+00 -0.122190D+01 -0.839721D+01 -0.500195D+00
               146           147           148           149           150 
      1   0.342843D+01 -0.500195D+00  0.237973D+01 -0.199366D+01  0.150014D+00
      2  -0.393122D+01  0.430774D-01 -0.199366D+01  0.284330D+01 -0.277343D+00
      3   0.430774D-01 -0.112609D+01  0.150014D+00 -0.277343D+00  0.717381D+00
               151           152           153           154           155 
      1  -0.124116D+01  0.632393D+00 -0.785152D+00 -0.730252D+01 -0.218688D+01
      2   0.632393D+00 -0.104571D+01  0.800532D+00 -0.218688D+01 -0.212869D+01
      3  -0.785152D+00  0.800532D+00 -0.117141D+00 -0.302558D-01  0.324575D-01
               156           157           158           159           160 
      1  -0.302558D-01 -0.489321D+01 -0.196038D+01 -0.219969D+00  0.872414D+00
      2   0.324575D-01 -0.196038D+01 -0.250755D+01  0.214103D+00  0.154123D+00
      3  -0.108079D+01 -0.219969D+00  0.214103D+00 -0.695492D+00 -0.102824D+01
               161           162           163           164           165 
      1   0.154123D+00 -0.102824D+01 -0.426597D+00  0.707166D+00  0.222466D+00
      2   0.386330D+00 -0.229588D+00  0.707166D+00 -0.104899D+01 -0.218469D-01
      3  -0.229588D+00 -0.900306D-01  0.222466D+00 -0.218469D-01  0.706993D-01
               166           167           168           169           170 
      1   0.238907D+01  0.702628D+00 -0.111255D+00  0.583170D+00 -0.183220D-01
      2   0.702628D+00  0.903707D+01  0.504207D+00 -0.183220D-01  0.133135D+01
      3  -0.111255D+00  0.504207D+00  0.118686D+01  0.245226D+00  0.100412D+01
               171           172           173           174           175 
      1   0.245226D+00  0.883974D+01  0.799003D+00 -0.149945D+01 -0.713879D-01
      2   0.100412D+01  0.799003D+00  0.685638D+00  0.201946D+00  0.263912D+01
      3   0.122741D+00 -0.149945D+01  0.201946D+00 -0.408277D-01  0.244474D+00
               176           177           178           179           180 
      1   0.263912D+01  0.244474D+00 -0.299359D+01 -0.185451D+00  0.175163D+01
      2  -0.483308D+01 -0.545812D+00 -0.185451D+00 -0.577573D+00  0.225751D-01
      3  -0.545812D+00 -0.115996D+01  0.175163D+01  0.225751D-01 -0.459102D+00
               181           182           183           184           185 
      1   0.735324D+00 -0.106750D+01 -0.507273D+00 -0.234776D+01  0.246247D+01
      2  -0.106750D+01  0.575241D+00  0.753338D-01  0.246247D+01 -0.956125D+01
      3  -0.507273D+00  0.753338D-01  0.283922D+00  0.761494D-01 -0.782620D+00
               186           187           188           189           190 
      1   0.761494D-01 -0.117722D+01  0.391955D+00  0.475733D+00  0.707186D-01
      2  -0.782620D+00  0.391955D+00 -0.165460D+01 -0.125818D+01  0.252228D+00
      3  -0.930661D+00  0.475733D+00 -0.125818D+01  0.163010D+00  0.109987D+01
               191           192           193           194           195 
      1   0.252228D+00  0.109987D+01  0.850885D+00  0.236487D+00 -0.149748D-01
      2   0.342799D-01  0.348035D-01  0.236487D+00 -0.827626D+00  0.958965D+00
      3   0.348035D-01 -0.758164D-01 -0.149748D-01  0.958965D+00  0.525910D+00
               196           197           198           199           200 
      1   0.212729D+01 -0.292972D+00  0.967026D+00 -0.635104D+00 -0.292745D+00
      2  -0.292972D+00  0.138723D+01 -0.119926D+01 -0.292745D+00  0.301614D-01
      3   0.967026D+00 -0.119926D+01  0.909824D+01  0.436749D+00 -0.139799D+00
               201           202           203           204           205 
      1   0.436749D+00 -0.406750D+00 -0.370814D+00  0.260052D+00  0.215036D+01
      2  -0.139799D+00 -0.370814D+00 -0.165869D+01  0.967806D+00  0.108805D+01
      3   0.278714D+00  0.260052D+00  0.967806D+00 -0.131058D+01 -0.130958D+01
               206           207           208           209           210 
      1   0.108805D+01 -0.130958D+01  0.409013D+00  0.123090D+01  0.111946D+00
      2   0.305798D+01 -0.275393D+01  0.123090D+01 -0.336502D+00 -0.845769D-01
      3  -0.275393D+01  0.636893D+01  0.111946D+00 -0.845769D-01  0.444442D+00
               211           212           213           214           215 
      1   0.354538D+01 -0.485869D+00 -0.321376D+00  0.308139D+00 -0.182574D+00
      2  -0.485869D+00  0.593221D+01 -0.107145D+00 -0.182574D+00  0.344826D+00
      3  -0.321376D+00 -0.107145D+00  0.110425D+01  0.560298D+00  0.350475D+00
               216 
      1   0.560298D+00
      2   0.350475D+00
      3  -0.315537D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.115744D+01  0.184410D+00 -0.389745D+00 -0.145619D+01  0.222471D+01
      2   0.107299D+01  0.717934D-01  0.115945D+01  0.852234D+00  0.172404D+01
      3  -0.147950D+01  0.739612D+00 -0.857393D+00  0.578509D+01 -0.112679D+01
                 6             7             8             9            10 
      1   0.635728D+00  0.823321D+00  0.383169D+01 -0.946327D+01 -0.605261D+00
      2   0.146376D+00 -0.301425D+01 -0.118441D+00 -0.562720D+01 -0.248537D+01
      3  -0.118013D+00 -0.703293D+00 -0.185556D+01 -0.119526D+01 -0.267184D+01
                11            12            13            14            15 
      1  -0.215091D+01 -0.741213D+00 -0.582565D+00 -0.181462D+01 -0.120298D+01
      2  -0.367866D+00  0.744127D+00  0.347241D+00 -0.132887D+01 -0.237017D+01
      3  -0.494945D+01 -0.187014D+00  0.109959D+01  0.252119D+01  0.247802D+01
                16            17            18            19            20 
      1  -0.123651D+01  0.237095D+01 -0.655658D+00 -0.183765D+01 -0.214042D-02
      2  -0.356204D+01 -0.126564D+01  0.134202D+02 -0.216907D+00  0.112250D+01
      3  -0.800801D+00  0.186688D+01  0.116171D+01  0.280417D+01 -0.426521D+01
                21            22            23            24            25 
      1   0.313594D+00 -0.121011D+01 -0.157383D+01 -0.648616D+00  0.339808D+00
      2   0.533123D-01  0.575800D+00  0.928518D+00  0.547451D-02 -0.439197D+01
      3   0.128024D+00  0.187386D+01 -0.439041D+01 -0.151701D+01  0.190848D+01
                26            27            28            29            30 
      1   0.216287D+01  0.602267D+01 -0.188498D+01  0.445066D+00  0.106241D+01
      2   0.551673D+00 -0.511799D+01 -0.113226D+01  0.112307D+01 -0.326630D+01
      3  -0.844603D+00 -0.364253D+00 -0.667061D+01 -0.843740D+01  0.357296D+00
                31            32            33            34            35 
      1  -0.764005D+00  0.104410D+00 -0.902397D-01 -0.102906D+00  0.347768D+01
      2  -0.604328D+00 -0.990960D+00 -0.307994D+01 -0.556675D+01  0.735739D+00
      3  -0.486496D+01  0.611691D+01  0.201482D+01  0.716325D+00  0.996289D+00
                36            37            38            39            40 
      1   0.466997D+01  0.213576D+01 -0.628776D-01 -0.131003D+01  0.482434D+00
      2   0.149032D+02  0.379145D+00  0.184300D+00  0.113394D+02 -0.200953D+00
      3   0.465450D+00 -0.370742D+01 -0.118081D+01 -0.158202D+01  0.187728D+02
                41            42            43            44            45 
      1   0.905086D+00 -0.455035D+01  0.217063D+01  0.238099D+01 -0.771942D+00
      2  -0.898875D-01  0.561281D+00 -0.677355D+01 -0.157468D+01  0.124025D+01
      3   0.205340D+01 -0.544953D-01 -0.472944D+01 -0.450890D+00 -0.390031D+00
                46            47            48            49            50 
      1  -0.463029D+00  0.416980D+00 -0.737446D+00 -0.667520D+00 -0.775921D-01
      2   0.119951D+01  0.335135D+00 -0.471746D+01 -0.303354D+00  0.198669D+01
      3   0.796151D+01  0.420258D+01  0.842639D+00 -0.928369D+00 -0.179656D+01
                51            52            53            54            55 
      1  -0.161164D+01 -0.251839D+01  0.277189D+01  0.107209D+02 -0.414399D+01
      2   0.435559D+01 -0.410946D+01 -0.900354D+00 -0.155894D+02 -0.368160D+01
      3  -0.196242D+01  0.185842D+01 -0.215911D+01 -0.157889D+00  0.161867D+02
                56            57            58            59            60 
      1   0.170690D+01 -0.162113D+01  0.225471D+01 -0.411628D+01 -0.595124D+01
      2   0.295510D+01  0.931882D+00  0.880730D+00 -0.229179D+01 -0.358649D+00
      3  -0.556530D+01  0.258801D+01  0.387368D+01  0.948163D+01  0.140617D+00
                61            62            63            64            65 
      1  -0.113383D+01  0.131929D+01 -0.272884D+01  0.109847D+01 -0.828571D-01
      2  -0.436711D+01 -0.156131D-01 -0.949747D+00  0.983846D+00 -0.593961D+00
      3   0.620434D+01  0.174309D+01  0.170068D+01  0.390629D+00 -0.172638D+01
                66            67            68            69            70 
      1  -0.433959D+00  0.127051D-01  0.144882D+01 -0.563291D+00 -0.284737D+00
      2   0.107805D+01 -0.351735D+00  0.428479D+00  0.278686D-01 -0.397252D+01
      3  -0.911474D+00  0.569015D+00  0.135030D+00 -0.655681D+00 -0.242778D+01
                71            72            73            74            75 
      1   0.375361D+01  0.937061D+01 -0.131232D+01 -0.920706D-01  0.159895D+01
      2  -0.393428D+00  0.527587D+01  0.570559D+01  0.141511D+01  0.402798D+01
      3  -0.105935D+01  0.856512D+00  0.117405D+02  0.266091D+00 -0.256348D+00
                76            77            78            79            80 
      1  -0.217698D+01 -0.523918D+00 -0.246561D+01  0.162971D+01  0.310272D+01
      2   0.117724D+01  0.272142D+01 -0.382736D+01 -0.137557D+01 -0.155567D+01
      3   0.787207D+01  0.172359D+02 -0.189111D+01 -0.130051D+00 -0.527637D+01
                81            82            83            84            85 
      1   0.378484D+00  0.148083D+00  0.309411D+00  0.130023D-02  0.733725D+00
      2   0.224049D+01 -0.205630D+01 -0.120212D+00  0.798500D+00  0.599092D-01
      3   0.729862D+00  0.734223D+00 -0.378758D+00  0.800451D-01  0.164369D+01
                86            87            88            89            90 
      1  -0.381869D+00 -0.186360D+01  0.423525D+00  0.421419D+01 -0.124912D+01
      2  -0.176644D+01  0.118554D+01 -0.343365D+01  0.365615D+00 -0.130004D+02
      3  -0.534634D+00  0.115894D+01  0.271965D+00  0.292993D+01 -0.798467D-01
                91            92            93            94            95 
      1  -0.902123D+00  0.218614D+00  0.564893D+00  0.182013D+00 -0.121904D+01
      2   0.144737D+01  0.316543D+00  0.327215D+00  0.655936D+00  0.138610D+00
      3  -0.341347D+00 -0.994504D+00  0.706979D+00  0.116811D+01  0.248702D+00
                96            97            98            99           100 
      1  -0.749728D+00 -0.446586D+00  0.426425D+01 -0.653182D+01  0.218556D+01
      2  -0.677375D+00 -0.461519D+01  0.343145D+00  0.488672D+01 -0.184216D+01
      3  -0.309557D+00  0.125658D+01 -0.119250D+01 -0.924222D-01  0.937893D+01
               101           102           103           104           105 
      1  -0.211504D-01 -0.202771D+01  0.106967D+01  0.480968D+01 -0.214747D+01
      2  -0.878216D+00  0.520497D+01  0.205935D+00 -0.160991D+01  0.992158D+00
      3  -0.111398D+02 -0.125869D+01 -0.178223D+01  0.153205D+02  0.237868D+01
               106           107           108           109           110 
      1  -0.144314D+01  0.372618D+01  0.151244D+01  0.165969D+01 -0.181239D+00
      2  -0.140463D+01  0.633163D+00 -0.114580D+01  0.273979D+01 -0.518196D+00
      3  -0.442657D+01  0.438933D+01  0.764426D+00  0.355939D+01  0.299712D+01
               111           112           113           114           115 
      1   0.244526D+01 -0.173499D+01  0.755457D+01 -0.123196D+01 -0.137233D+01
      2   0.155395D+01  0.402105D+00  0.346273D+01 -0.271422D+01 -0.476570D+01
      3  -0.112414D+01  0.122864D+02 -0.145993D+02 -0.348520D+01 -0.339213D+01
               116           117           118           119           120 
      1   0.284010D+01 -0.139630D+02 -0.327160D+00  0.143871D+00  0.639624D+00
      2   0.252013D+01 -0.191203D+02 -0.969427D+00 -0.367713D+00  0.211480D+01
      3  -0.410900D+01 -0.242889D+01  0.549299D+00 -0.744586D-01  0.864972D+00
               121           122           123           124           125 
      1  -0.292633D-01 -0.104458D+01 -0.776967D+00  0.338376D+00  0.358998D+01
      2   0.446912D-01 -0.126680D+01 -0.360751D-01 -0.393594D+01 -0.557745D+00
      3   0.221670D+01 -0.975580D+00  0.137508D+01  0.217442D+01  0.233069D+01
               126           127           128           129           130 
      1  -0.410289D+01 -0.157888D+00 -0.649307D+00 -0.141673D+01  0.867448D-01
      2  -0.108702D+02 -0.413117D+00 -0.156077D+01  0.574776D+01  0.700753D+00
      3  -0.338013D+00  0.621659D+01 -0.640472D+01  0.854135D+00  0.656593D+01
               131           132           133           134           135 
      1   0.160033D-01 -0.250458D+01  0.267170D+01  0.552837D+01 -0.152413D+02
      2   0.984894D+00 -0.158490D+01 -0.136860D+01 -0.375722D+01  0.124674D+02
      3  -0.561589D+01 -0.596645D+00  0.552453D+00 -0.116261D+01  0.258391D+01
               136           137           138           139           140 
      1  -0.131947D+01  0.740357D-01 -0.393504D+00  0.776394D+00 -0.123387D+01
      2   0.204205D+01 -0.415096D-02  0.102150D+01  0.198111D+00  0.999102D+00
      3  -0.656954D+00 -0.136566D+01  0.178457D+01  0.824735D+00  0.104442D+01
               141           142           143           144           145 
      1  -0.687492D+00 -0.570837D+00  0.317202D+01 -0.968825D+01  0.328905D+01
      2  -0.261815D+00 -0.353996D+01  0.128873D+01  0.125949D+02  0.336851D+01
      3  -0.142498D+01  0.334263D+01 -0.175634D+01  0.789787D+00 -0.163610D+02
               146           147           148           149           150 
      1  -0.151954D+01  0.376046D+01 -0.118035D+01  0.148863D+01 -0.186631D+01
      2  -0.206437D+01  0.291162D+01 -0.135936D+01  0.124869D+01 -0.150856D+01
      3   0.282437D+01 -0.193018D+01  0.512431D+01 -0.286379D+01  0.141418D+00
               151           152           153           154           155 
      1   0.230118D+01 -0.126222D+01  0.570468D+00  0.165250D+01  0.905522D+00
      2   0.810531D+00 -0.143335D+01  0.601739D+00 -0.277832D+01 -0.135004D+01
      3  -0.410027D+01  0.344153D+00 -0.111423D+01 -0.109346D+02 -0.100665D+02
               156           157           158           159           160 
      1  -0.523266D+00  0.140792D+01  0.895951D+00 -0.439100D+00 -0.323586D+00
      2   0.404817D+01 -0.179291D+01 -0.180872D+01  0.310489D+01  0.214607D+01
      3   0.765582D-01 -0.808723D+01 -0.134207D+02  0.916120D+00  0.756784D+00
               161           162           163           164           165 
      1   0.930435D+00  0.449678D+00 -0.507319D+00  0.543255D+00  0.293174D+00
      2   0.920596D+00  0.976450D-01  0.540780D+00 -0.132775D+00 -0.257516D+00
      3   0.239525D+01 -0.733449D+00 -0.481906D+01  0.449926D+01  0.898514D+00
               166           167           168           169           170 
      1   0.409595D+00 -0.327157D+01 -0.397498D+01 -0.472853D+00 -0.161171D+01
      2  -0.431020D+00  0.658199D+00  0.168618D+01 -0.848702D+00  0.141654D+01
      3   0.732116D+01 -0.198135D+02 -0.178938D+01  0.223938D+01 -0.359964D+01
               171           172           173           174           175 
      1  -0.522580D+00 -0.106105D+01 -0.857697D+00 -0.196899D+01  0.121326D+01
      2   0.659418D-01 -0.413432D+01 -0.919772D+00  0.740743D+01  0.581116D+00
      3  -0.113103D+01 -0.958464D+01 -0.124237D+02  0.150268D+01 -0.853716D+01
               176           177           178           179           180 
      1   0.208800D+01 -0.355085D+01  0.228188D+01  0.395004D+01  0.383501D+00
      2  -0.143040D+01 -0.209582D+01  0.177504D+01 -0.185882D+00 -0.319592D+01
      3   0.217738D+02  0.790592D+00  0.196202D+01  0.373580D+01 -0.176769D+01
               181           182           183           184           185 
      1  -0.150308D+01  0.460850D+00  0.768498D+00  0.977082D+00 -0.523172D+01
      2  -0.136516D+01  0.524486D+00  0.146151D+01  0.411242D+00 -0.208136D+01
      3   0.202634D+01 -0.103924D+01  0.689258D+00  0.564343D+00  0.206853D+02
               186           187           188           189           190 
      1  -0.463392D+01  0.102749D+01 -0.166088D+01 -0.336533D+00  0.203530D+01
      2  -0.257389D+01  0.495953D+00 -0.299687D+01  0.377268D+00  0.352097D+01
      3   0.200959D+01  0.190774D+01  0.343804D+01  0.236665D+01 -0.806552D-02
               191           192           193           194           195 
      1  -0.789596D-01 -0.285361D-01 -0.205249D+00  0.103921D+01  0.732824D+00
      2  -0.196828D+00  0.147352D+00 -0.856701D+00  0.254293D+01  0.131476D+01
      3  -0.133948D+01 -0.146236D+01 -0.105261D+01  0.151793D+01 -0.202124D+01
               196           197           198           199           200 
      1   0.691144D+00  0.279601D+01  0.132387D+02  0.102219D+01  0.354280D-01
      2  -0.282937D+01 -0.250461D+01  0.219728D+02 -0.220108D+01 -0.118943D+00
      3  -0.232353D+01 -0.323597D+01  0.254177D+01 -0.230242D+00  0.180928D+00
               201           202           203           204           205 
      1   0.937298D+00  0.650352D+00  0.256984D+01 -0.350277D+01 -0.351025D+01
      2  -0.750239D+00 -0.833389D+00 -0.240960D+01  0.316632D+01  0.191614D+00
      3  -0.118605D+01  0.459481D+00 -0.213497D+01  0.148929D+01 -0.316681D+01
               206           207           208           209           210 
      1  -0.448834D+01  0.169784D+02 -0.358731D+00  0.254404D+00 -0.793221D+00
      2   0.629550D+01 -0.142857D+02  0.954190D-01  0.217692D+00  0.440965D+00
      3   0.396589D+01 -0.312752D+01 -0.468093D+01  0.355431D+01  0.310187D+00
               211           212           213           214           215 
      1  -0.693342D-01 -0.372794D+01  0.116689D+00 -0.684896D+00  0.927010D+00
      2  -0.359300D+00 -0.749551D+00  0.454235D+01  0.197143D+00  0.159282D+01
      3   0.549018D+01 -0.302669D+02  0.752210D+00  0.104915D+01 -0.143339D+01
               216 
      1   0.312811D-01
      2  -0.106134D+01
      3  -0.104022D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.282523D+01 -0.695525D+01 -0.135978D+00 -0.596350D+01  0.107125D+02
      2   0.129710D+01  0.957003D+01 -0.446295D+00  0.688926D+01 -0.213979D+02
      3  -0.412234D+01 -0.261478D+01  0.582273D+00 -0.925767D+00  0.106854D+02
      4  -0.380907D+01 -0.166122D+01 -0.505330D+00 -0.779368D+01  0.890856D+01
      5   0.136021D+01 -0.824731D+00 -0.348287D+00 -0.270507D+01  0.158536D+01
      6   0.789590D+00  0.154115D+01  0.558500D+00  0.263305D+01 -0.620320D+01
                 6             7             8             9            10 
      1   0.205630D+01  0.186188D+01  0.425842D+01  0.786826D+01 -0.175675D+02
      2  -0.134045D+01 -0.321590D+00 -0.102494D+02  0.377236D+01  0.786816D+01
      3  -0.715853D+00 -0.154029D+01  0.599093D+01 -0.116406D+02  0.969935D+01
      4   0.219140D+01 -0.179696D+01  0.348154D+01  0.816586D-01  0.101741D+02
      5   0.242853D+00  0.241834D+01  0.143048D+01 -0.123286D+02 -0.692510D+01
      6  -0.692199D+01 -0.177354D+00 -0.156065D+01  0.233839D+02  0.281264D+00
                11            12            13            14            15 
      1   0.472322D+01 -0.124690D+01  0.966589D+01  0.587992D+01  0.142711D+01
      2  -0.107271D+01  0.353794D+01 -0.577380D+01 -0.782789D+00 -0.172188D+01
      3  -0.365051D+01 -0.229104D+01 -0.389209D+01 -0.509713D+01  0.294771D+00
      4  -0.272652D+01  0.105251D+01  0.524351D+01 -0.565512D+01 -0.165819D+01
      5   0.852435D+00 -0.240005D+01  0.290376D+01 -0.447328D+00 -0.446706D+01
      6  -0.191099D+01  0.210326D+01 -0.100512D+01  0.114045D+00 -0.441639D-01
                16            17            18            19            20 
      1  -0.105247D+02  0.191965D+01  0.573029D+01 -0.734123D+01  0.394350D+00
      2   0.351490D+01 -0.206008D+01  0.714851D+01  0.948808D+00 -0.594597D+01
      3   0.700979D+01  0.140436D+00 -0.128788D+02  0.639242D+01  0.555162D+01
      4   0.589413D+01 -0.280746D+01 -0.289719D+01 -0.603738D+01 -0.835242D+01
      5  -0.105670D+01 -0.264247D+01  0.340261D+02  0.261600D+01  0.140619D+01
      6   0.227551D+00  0.847258D+00  0.138535D+01 -0.185166D+00  0.139688D+01
                21            22            23            24            25 
      1  -0.849768D+00 -0.600900D+01 -0.497672D+01 -0.130502D+01  0.182402D+01
      2  -0.192183D+01  0.207415D+00  0.446085D+01 -0.324062D-01  0.121718D+01
      3   0.277159D+01  0.580159D+01  0.515867D+00  0.133742D+01 -0.304120D+01
      4   0.610182D+00 -0.989857D+01 -0.223230D+01 -0.118864D+00  0.418499D+01
      5  -0.383861D+01  0.208271D+01  0.394850D+00 -0.590127D+00  0.886905D+00
      6  -0.122685D+01 -0.316270D-01  0.265001D+01 -0.117003D+01 -0.158506D+00
                26            27            28            29            30 
      1   0.420838D+00  0.497189D+01 -0.890232D+01  0.979572D+01 -0.339451D+01
      2   0.144083D+01  0.927312D+01  0.323854D+01 -0.768218D+01  0.642783D+00
      3  -0.186167D+01 -0.142450D+02  0.566379D+01 -0.211354D+01  0.275172D+01
      4   0.363136D+01  0.133996D+01 -0.191507D+01 -0.810679D+01  0.322134D+01
      5   0.587832D+00 -0.118980D+02 -0.454004D+01  0.198339D+01 -0.100195D+02
      6   0.362217D+01 -0.141687D+02  0.455705D+01 -0.120562D+01  0.958527D+00
                31            32            33            34            35 
      1   0.752734D+01  0.413651D+01 -0.356936D+01 -0.180309D+01  0.128375D+00
      2  -0.521959D+01 -0.413979D+01  0.962697D-01 -0.208300D+01  0.123183D+01
      3  -0.230774D+01  0.327668D-02  0.347309D+01  0.388609D+01 -0.136021D+01
      4  -0.739816D+01 -0.148368D+02 -0.117174D+01  0.119018D+01 -0.243199D+01
      5   0.196604D+00 -0.583264D+00 -0.487570D+01 -0.242442D+01  0.164614D+00
      6  -0.412822D+00  0.177832D+01 -0.235201D+01  0.644179D+00  0.197933D+00
                36            37            38            39            40 
      1   0.544680D+01  0.136275D+01 -0.198467D+01 -0.154658D+01  0.272451D+00
      2   0.597011D+01  0.126207D+01  0.221494D+01 -0.307309D+00  0.763002D+00
      3  -0.114169D+02 -0.262482D+01 -0.230269D+00  0.185389D+01 -0.103545D+01
      4   0.497211D+00 -0.114716D+01  0.164945D+02 -0.187828D+01  0.140237D+02
      5   0.260794D+02  0.145202D+01 -0.302797D+00  0.186991D+02 -0.150689D+01
      6  -0.110221D+02 -0.209061D+01  0.191139D+01  0.228722D+01 -0.506348D+00
                41            42            43            44            45 
      1  -0.144167D+02  0.417893D+01  0.785201D+00  0.286928D+01 -0.560673D+01
      2   0.195392D+02 -0.108863D+01 -0.189767D+01 -0.309730D+01 -0.780844D+00
      3  -0.512251D+01 -0.309030D+01  0.111247D+01  0.228024D+00  0.638757D+01
      4   0.347524D+01 -0.402318D+00 -0.625448D+01  0.376652D-01 -0.161538D+01
      5  -0.916970D+00  0.188225D+01  0.467874D+01 -0.313909D+00  0.258185D+01
      6  -0.362625D+01  0.470527D+01 -0.104543D+01  0.604492D+01  0.204177D+01
                46            47            48            49            50 
      1  -0.963101D+01  0.358032D+01  0.452966D+01 -0.821420D+01 -0.268529D+01
      2   0.458593D+01 -0.867868D+01 -0.147412D+01 -0.420938D+00 -0.522303D+01
      3   0.504508D+01  0.509836D+01 -0.305554D+01  0.863514D+01  0.790832D+01
      4   0.210121D+01 -0.205311D+02 -0.113197D+01 -0.175764D+02 -0.389370D+01
      5   0.478844D+00 -0.906848D+00 -0.101248D+02  0.197857D+01  0.894583D+00
      6  -0.211236D+00 -0.263016D+01 -0.161697D+01  0.593107D+00  0.182875D+01
                51            52            53            54            55 
      1  -0.128325D+01  0.432563D+01 -0.630033D+00  0.883584D+01 -0.423762D+01
      2  -0.773534D+00  0.144826D+01  0.630466D+01  0.810445D+01 -0.360889D+01
      3   0.205679D+01 -0.577389D+01 -0.567463D+01 -0.169403D+02  0.784651D+01
      4   0.174744D+01  0.165188D+01  0.199085D+01  0.243381D+01  0.226768D+02
      5   0.654918D+01 -0.141671D+01  0.153685D+00 -0.297316D+02 -0.209719D+01
      6  -0.193355D+00  0.913918D+00  0.606290D+00 -0.258996D+02  0.645660D+01
                56            57            58            59            60 
      1   0.900780D+00 -0.264035D+01  0.357201D+01 -0.318198D+02 -0.603410D+01
      2   0.492208D+01  0.434131D+00 -0.157544D+01  0.476878D+02  0.505391D+01
      3  -0.582286D+01  0.220622D+01 -0.199657D+01 -0.158679D+02  0.980190D+00
      4  -0.616362D+01  0.533002D+01  0.183897D+01 -0.139359D+02 -0.399844D+01
      5   0.951239D+00  0.342117D+01  0.148250D+01 -0.294571D+01 -0.141652D+01
      6  -0.176718D+01  0.211655D+01 -0.281455D+01  0.111746D+02  0.113023D+02
                61            62            63            64            65 
      1  -0.139911D+01 -0.979023D+01 -0.802363D+01 -0.221533D+00  0.558714D+00
      2  -0.225915D+01  0.159682D+02  0.449850D+01 -0.315181D+01 -0.861189D+00
      3   0.365826D+01 -0.617802D+01  0.352513D+01  0.337334D+01  0.302475D+00
      4   0.103960D+02 -0.993588D+01 -0.191604D+01  0.818586D+00  0.222697D+01
      5   0.295789D+01 -0.367668D+01 -0.202411D+01  0.121465D+01 -0.104377D+01
      6  -0.329909D+00  0.135095D+02  0.600729D+01 -0.300795D+01 -0.554043D+00
                66            67            68            69            70 
      1   0.178348D+01  0.571675D+00 -0.425707D+01  0.262203D+01  0.189981D+01
      2  -0.630053D+00 -0.841754D+00  0.295521D+01 -0.345362D+01 -0.469448D+00
      3  -0.115343D+01  0.270080D+00  0.130186D+01  0.831582D+00 -0.143036D+01
      4  -0.257737D+01  0.194623D+01 -0.133562D+01  0.131404D+01 -0.340128D+01
      5   0.646715D+01  0.361276D-01  0.115224D+01 -0.369323D-01  0.339602D+01
      6   0.104968D+01 -0.815624D-01 -0.353435D+01  0.669832D+01 -0.264099D+00
                71            72            73            74            75 
      1   0.483399D+01 -0.157718D+02  0.212973D+02 -0.217943D+02  0.459219D+01
      2  -0.437941D+01 -0.122095D+02 -0.115659D+02  0.112174D+02 -0.548244D+01
      3  -0.454583D+00  0.279813D+02 -0.973131D+01  0.105769D+02  0.890249D+00
      4   0.287536D+01 -0.489260D+00 -0.279169D+02  0.492412D+01 -0.703524D+00
      5  -0.117260D+01  0.105340D+02  0.944551D+01 -0.350351D+00  0.705504D+01
      6   0.590259D+01 -0.229490D+02 -0.268044D+01  0.870418D+00 -0.286822D+01
                76            77            78            79            80 
      1  -0.420060D+02 -0.612300D+01 -0.518943D+00  0.175960D+02 -0.200740D+00
      2   0.240322D+02  0.741544D+01  0.129381D+01 -0.112626D+02  0.357082D+00
      3   0.179738D+02 -0.129244D+01 -0.774865D+00 -0.633344D+01 -0.156342D+00
      4   0.521103D+01 -0.198962D+02  0.474272D+01 -0.391487D+01  0.677685D+01
      5  -0.337726D+01  0.508169D+01 -0.580348D+01  0.133310D+02 -0.389498D+01
      6   0.311238D+00 -0.194027D+01  0.514066D+01 -0.259421D+01  0.367660D+01
                81            82            83            84            85 
      1   0.380329D+01  0.269748D+01 -0.108303D+01 -0.439878D+01 -0.527532D+00
      2  -0.645360D+01 -0.419101D+01  0.502584D+00  0.258813D+01  0.143188D+00
      3   0.265031D+01  0.149352D+01  0.580444D+00  0.181065D+01  0.384344D+00
      4  -0.424224D+01 -0.102843D+01  0.100122D+01  0.187429D+00  0.144357D+01
      5   0.507562D+01 -0.438336D+01 -0.284280D+00  0.676098D+01 -0.552934D+00
      6  -0.122415D+01  0.261272D+00  0.991082D-01  0.236506D+00 -0.128402D+01
                86            87            88            89            90 
      1  -0.363614D+01  0.320145D+00 -0.654709D+01  0.151121D+00 -0.137133D+02
      2   0.992508D-01  0.879213D+00  0.564878D+01  0.552249D+00 -0.153686D+02
      3   0.353689D+01 -0.119936D+01  0.898311D+00 -0.703370D+00  0.290819D+02
      4   0.177514D+01 -0.436235D+01  0.131781D-01 -0.492869D+01  0.135749D+01
      5  -0.431077D+01  0.262853D+01  0.687067D+01  0.163948D+01 -0.307670D+02
      6  -0.160539D+00  0.811365D+01 -0.947376D-01  0.415262D+01  0.123145D+01
                91            92            93            94            95 
      1   0.311495D+00 -0.367197D+00  0.207638D+01 -0.527000D+00 -0.205983D+01
      2  -0.284926D+01  0.704428D+00 -0.534720D+00  0.739911D+00 -0.984764D+00
      3   0.253777D+01 -0.337231D+00 -0.154166D+01 -0.212910D+00  0.304460D+01
      4  -0.162780D+00  0.223607D+01  0.145057D+01  0.285088D+01  0.178682D+00
      5   0.169985D+01  0.121860D+00  0.569135D+01 -0.266006D+00  0.120521D+01
      6   0.165992D+01 -0.214119D+00 -0.756795D+00  0.293816D+00  0.138752D+01
                96            97            98            99           100 
      1  -0.562070D+00  0.223945D+01 -0.206385D+01 -0.157091D+02  0.241085D+02
      2   0.231699D+01 -0.183155D+01  0.300381D+01 -0.152259D+02 -0.961398D+01
      3  -0.175492D+01 -0.407899D+00 -0.939958D+00  0.309351D+02 -0.144945D+02
      4   0.149574D+01  0.241011D+01  0.273404D+01  0.120511D+00  0.213088D+02
      5  -0.833393D+00  0.450528D+01  0.268828D+00  0.115080D+02 -0.368249D+01
      6   0.622818D+01  0.473091D+00  0.384122D+01  0.134978D+02 -0.266081D+01
               101           102           103           104           105 
      1  -0.487806D+01 -0.188270D+01 -0.626917D+00  0.178420D+02  0.374217D+01
      2   0.129771D+02  0.318464D+01  0.555231D+01 -0.195031D+02 -0.397902D+01
      3  -0.809909D+01 -0.130194D+01 -0.492539D+01  0.166105D+01  0.236846D+00
      4   0.221367D+02 -0.186817D+01  0.175117D+02 -0.224214D+01 -0.261859D+01
      5  -0.416567D+00  0.908162D+01 -0.636270D+00 -0.425338D+01  0.128337D+01
      6   0.851612D-02  0.342072D+01  0.960672D-01 -0.585850D+01  0.487261D+01
               106           107           108           109           110 
      1  -0.537115D+01  0.517377D+01  0.514729D+00 -0.105087D+02 -0.109020D+02
      2   0.219928D+01 -0.872448D+01 -0.282272D+01  0.828720D+01  0.468984D+01
      3   0.317187D+01  0.355070D+01  0.230799D+01  0.222148D+01  0.621216D+01
      4  -0.626060D+01 -0.792944D+01  0.393538D+01 -0.129506D+02  0.233405D+01
      5   0.788749D+01  0.251932D+01 -0.197622D+01  0.122597D+02 -0.274500D+01
      6   0.505875D+01  0.485309D+01 -0.283418D+01 -0.718825D+01  0.422510D+01
               111           112           113           114           115 
      1   0.266840D+01 -0.261757D+02  0.110051D+02  0.243015D+01  0.192990D+02
      2  -0.502382D+01  0.201974D+02 -0.288933D+02 -0.666481D+01 -0.850400D+01
      3   0.235542D+01  0.597828D+01  0.178882D+02  0.423466D+01 -0.107950D+02
      4  -0.546398D+01 -0.607908D+01  0.337095D+02  0.572580D+01 -0.150827D+01
      5  -0.731552D+00  0.155506D+01  0.586086D+01 -0.508701D+01 -0.156537D+01
      6  -0.434583D+01  0.505939D+00 -0.384992D+01  0.683879D+00  0.737976D+00
               116           117           118           119           120 
      1   0.170944D+01  0.154486D+02  0.241254D+01 -0.169669D+01 -0.204214D+01
      2  -0.511327D+01  0.702290D+01 -0.384839D+01  0.934211D+00  0.138942D+01
      3   0.340383D+01 -0.224715D+02  0.143584D+01  0.762479D+00  0.652721D+00
      4   0.769391D+01  0.509580D+01 -0.237410D+01  0.256210D+01  0.895654D+00
      5   0.478029D+01 -0.402150D+02 -0.273881D+01 -0.205231D+00  0.848185D+01
      6  -0.225135D+01  0.182169D+02  0.103549D+01  0.184845D+00 -0.826932D+00
               121           122           123           124           125 
      1  -0.151446D+01 -0.380614D+01 -0.712477D+00 -0.458354D+01 -0.117941D+01
      2   0.481040D+00  0.111976D+01  0.134176D+01  0.596780D+01  0.706227D+00
      3   0.103342D+01  0.268638D+01 -0.629281D+00 -0.138425D+01  0.473184D+00
      4   0.297889D+01  0.304967D+00 -0.204856D+01  0.310810D+01 -0.248132D+01
      5   0.193608D-01 -0.281425D+01  0.581711D+00  0.666298D+01 -0.124574D+01
      6  -0.614040D+00  0.153922D+01  0.731293D+01 -0.127295D+01  0.464844D+01
               126           127           128           129           130 
      1  -0.159727D+02  0.168703D+02  0.159295D+01  0.368754D+00  0.522464D+01
      2  -0.134564D+02  0.190714D+00  0.102328D+02  0.517056D+00  0.698197D+01
      3   0.294291D+02 -0.170610D+02 -0.118258D+02 -0.885810D+00 -0.122066D+02
      4  -0.143007D+01  0.247998D+02  0.289324D+02 -0.300574D+00  0.273193D+02
      5  -0.207164D+02 -0.174892D+01 -0.670129D+00  0.743732D+01  0.578543D+00
      6   0.105025D+02 -0.211794D+00 -0.867878D+00  0.342179D+01  0.125462D+01
               131           132           133           134           135 
      1  -0.647768D+01 -0.135887D+01 -0.300028D+00 -0.442345D+01  0.639393D+01
      2   0.271620D+02  0.212969D+01  0.108064D+01  0.417330D+01 -0.240822D+01
      3  -0.206843D+02 -0.770817D+00 -0.780612D+00  0.250155D+00 -0.398570D+01
      4   0.307256D+02  0.232752D+01  0.489294D+01  0.715362D+01 -0.347652D+01
      5   0.176183D+01 -0.201963D+01  0.332370D+01 -0.368952D+01  0.215543D+02
      6   0.209928D+01  0.224859D+01 -0.131750D+00 -0.227247D+01  0.260184D+02
               136           137           138           139           140 
      1   0.159981D+00  0.635677D+00  0.355594D+01 -0.409675D+00 -0.317044D+01
      2  -0.273893D+01 -0.506296D-01 -0.149484D+01  0.122967D+01  0.142389D+01
      3   0.257894D+01 -0.585048D+00 -0.206109D+01 -0.819997D+00  0.174655D+01
      4   0.154040D+01  0.409041D+01  0.296075D+01  0.426768D+01  0.170016D+01
      5   0.377060D+01  0.731774D+00  0.770551D+01 -0.445018D+00  0.243347D+01
      6   0.337821D+01 -0.207998D+00  0.542530D+00  0.860210D-01  0.336342D+01
               141           142           143           144           145 
      1  -0.185784D+01  0.245421D+01 -0.427815D+01 -0.173044D+02  0.107574D+02
      2   0.338544D+01 -0.330348D+01  0.221848D+01 -0.135176D+02  0.629505D+01
      3  -0.152760D+01  0.849265D+00  0.205968D+01  0.308220D+02 -0.170525D+02
      4   0.185805D+01  0.556561D+01  0.524026D+01  0.307499D+01 -0.338806D+02
      5  -0.700680D+00  0.757808D+01  0.349208D+01  0.236656D+02 -0.566397D-01
      6   0.716579D+01  0.303552D+01  0.764752D+01  0.240929D+02 -0.316198D+01
               146           147           148           149           150 
      1   0.439895D+00  0.196824D+01 -0.464142D+00 -0.263880D+01  0.359465D+00
      2  -0.140213D+02  0.473530D+00 -0.763440D+01  0.126551D+02 -0.157695D+01
      3   0.135814D+02 -0.244177D+01  0.809854D+01 -0.100163D+02  0.121748D+01
      4   0.251007D+02 -0.288866D+01  0.165429D+02 -0.145399D+02  0.166620D+01
      5   0.374628D+00  0.337460D+01  0.260640D+00  0.519365D+00 -0.197883D+01
      6   0.609561D+00 -0.565863D+01  0.101591D+01 -0.127695D+01  0.316205D+01
               151           152           153           154           155 
      1   0.158242D+01  0.123651D+01 -0.610830D+00  0.499334D+02  0.157083D+02
      2   0.138325D+01 -0.408973D+01  0.108787D+01 -0.274769D+02 -0.893808D+01
      3  -0.296568D+01  0.285322D+01 -0.477045D+00 -0.224565D+02 -0.677019D+01
      4  -0.684019D+01  0.487971D+01 -0.499170D+01  0.126034D+02  0.125168D+02
      5   0.418512D+01 -0.263692D+01  0.906916D+00  0.843883D+00  0.146045D+00
      6  -0.454423D+01  0.527488D+01 -0.913406D+00  0.126205D+01  0.101893D+01
               156           157           158           159           160 
      1  -0.808430D+00  0.327078D+02  0.124085D+02  0.405874D+00 -0.597433D+01
      2  -0.213215D+00 -0.186997D+02 -0.541510D+01 -0.869301D+00  0.341393D+01
      3   0.102164D+01 -0.140081D+02 -0.699336D+01  0.463427D+00  0.256040D+01
      4  -0.194399D+00  0.137919D+02  0.140326D+02 -0.111386D+01 -0.100493D+01
      5   0.658649D+01  0.153864D+01 -0.117828D+01  0.463020D+01  0.825997D+01
      6   0.118752D+00  0.127034D+01  0.996521D+00  0.266274D+00  0.655486D+00
               161           162           163           164           165 
      1  -0.129530D+01  0.472238D+01 -0.125340D+01  0.585366D+01  0.665255D+00
      2   0.579763D+00 -0.435942D+01  0.277084D+01 -0.663593D+01 -0.751002D+00
      3   0.715535D+00 -0.362969D+00 -0.151744D+01  0.782269D+00  0.857468D-01
      4  -0.209446D+01  0.180338D+01 -0.525409D+00  0.693078D+00  0.643358D+00
      5   0.212084D+01  0.365023D+00  0.529088D+00 -0.221808D+00 -0.175982D+00
      6   0.145729D+01 -0.485556D+00  0.116446D+01 -0.336387D+00 -0.811247D-01
               166           167           168           169           170 
      1   0.463794D+01 -0.276227D+02 -0.168954D+01  0.133198D+01 -0.458823D+01
      2  -0.368343D+00  0.457549D+02  0.310079D+01 -0.805571D+00  0.636246D+01
      3  -0.426960D+01 -0.181322D+02 -0.141125D+01 -0.526404D+00 -0.177423D+01
      4   0.770467D+01  0.255510D+02  0.147529D+01  0.120357D+01  0.394591D+01
      5  -0.156634D+00  0.256257D+01  0.319038D+01  0.156554D+01  0.278240D+01
      6  -0.120000D+00  0.335875D+01  0.541033D+01  0.894629D+00  0.700181D+01
               171           172           173           174           175 
      1  -0.381033D+01  0.738854D+02  0.240821D+01 -0.563252D+01  0.226865D+01
      2   0.355192D+01 -0.428986D+02 -0.583781D+00  0.719856D+01 -0.303669D+01
      3   0.258417D+00 -0.309868D+02 -0.182443D+01 -0.156604D+01  0.768038D+00
      4   0.274490D+01 -0.470619D+01  0.123354D+02  0.249688D+01  0.194098D+02
      5   0.208774D+00 -0.123088D+02  0.117146D+01  0.132143D+02  0.561361D+00
      6   0.128083D+01  0.324793D+01 -0.195625D+01  0.157643D+01 -0.121307D+01
               176           177           178           179           180 
      1   0.116327D+02  0.280178D+01 -0.202867D+02 -0.336134D+00  0.786826D+01
      2  -0.218848D+01  0.688217D+00  0.126796D+02 -0.441037D+00 -0.110741D+02
      3  -0.944418D+01 -0.349000D+01  0.760716D+01  0.777172D+00  0.320581D+01
      4  -0.283988D+02 -0.384047D+01  0.128128D+01 -0.480928D+01 -0.174515D+01
      5  -0.411419D+01 -0.383003D+01  0.193280D+02  0.208716D+00 -0.710202D+01
      6   0.146434D+01  0.701667D+01 -0.227982D+01  0.341266D+01 -0.288444D+00
               181           182           183           184           185 
      1   0.344718D+01 -0.620090D+01 -0.272575D+01 -0.532957D+01 -0.179807D+02
      2   0.270385D+01  0.140279D+01  0.847569D+00 -0.472049D+01  0.437104D+02
      3  -0.615103D+01  0.479811D+01  0.187818D+01  0.100501D+02 -0.257298D+02
      4  -0.859888D+01  0.106559D+02  0.142339D+01  0.193103D+02 -0.489633D+02
      5  -0.239657D+01  0.377782D+00  0.258823D+01  0.185469D+00 -0.327226D+01
      6   0.162859D+01 -0.419032D+00 -0.922833D+00  0.152774D+00  0.190064D+01
               186           187           188           189           190 
      1  -0.179469D+01 -0.472494D+01 -0.302207D+01 -0.361575D+01  0.107962D+01
      2   0.412649D+01  0.110881D+01  0.641444D+01  0.294375D+01 -0.401203D+01
      3  -0.233180D+01  0.361613D+01 -0.339237D+01  0.672003D+00  0.293241D+01
      4  -0.365689D+01  0.413397D+01 -0.828233D+01 -0.647216D+01  0.511325D+00
      5  -0.508128D+01  0.359896D+01 -0.652526D+01  0.986496D+00  0.624403D+01
      6   0.610187D+01 -0.212850D+01  0.767629D+01  0.147451D+01 -0.199953D+01
               191           192           193           194           195 
      1   0.112357D+01  0.738131D+01  0.500755D+01 -0.438817D+01  0.923405D+00
      2  -0.110666D+01 -0.367705D+01 -0.389741D+01  0.339990D+01 -0.248000D+01
      3  -0.169167D-01 -0.370427D+01 -0.111014D+01  0.988266D+00  0.155659D+01
      4   0.160924D+01 -0.222023D+01  0.142831D+01 -0.465129D+01  0.446614D+01
      5  -0.752159D+00  0.636691D+01 -0.428023D-01  0.483164D+01  0.281161D+01
      6  -0.615454D+00  0.477993D+00  0.538204D+00 -0.189174D+01  0.450903D+01
               196           197           198           199           200 
      1   0.893279D+01  0.328333D+01 -0.196973D+02  0.184380D+01  0.279572D+01
      2  -0.700103D+01 -0.164213D+01 -0.137591D+02 -0.142894D+01 -0.165087D+01
      3  -0.193177D+01 -0.164120D+01  0.334563D+02 -0.414851D+00 -0.114485D+01
      4  -0.456296D+01  0.643179D+01 -0.656750D+01  0.266071D+01  0.186110D+01
      5   0.994696D+01 -0.658423D+01  0.461655D+02 -0.216075D+01 -0.675447D+00
      6  -0.276256D+01  0.794777D+01 -0.208339D+02 -0.225173D+01  0.960922D+00
               201           202           203           204           205 
      1  -0.371605D+01  0.647232D+00 -0.537637D+01  0.266004D+01 -0.431696D+01
      2   0.177667D+01  0.101297D+01  0.808867D+01 -0.469925D+01  0.133125D+01
      3   0.193938D+01 -0.166020D+01 -0.271230D+01  0.203921D+01  0.298572D+01
      4  -0.214141D+01  0.331702D+01  0.578270D+01 -0.398074D+01 -0.982272D+01
      5   0.780719D+00 -0.132627D+01 -0.350548D+01  0.494965D+01  0.700436D+01
      6  -0.194223D+01 -0.166513D+01 -0.616471D+01  0.807539D+01  0.602290D+01
               206           207           208           209           210 
      1   0.754195D+01 -0.110602D+02  0.201672D+01  0.693822D+01  0.947030D+00
      2  -0.876651D+01  0.226427D+01  0.263588D+00 -0.293385D+01 -0.391817D+00
      3   0.122456D+01  0.879594D+01 -0.228031D+01 -0.400437D+01 -0.555213D+00
      4  -0.125306D+02  0.111398D+02  0.704779D+01 -0.289415D-02 -0.255460D+00
      5   0.106574D+02 -0.249592D+02  0.761492D+00 -0.574942D+00  0.982162D+00
      6   0.156058D+02 -0.303716D+02 -0.729289D-01 -0.141716D+00  0.137794D+01
               211           212           213           214           215 
      1   0.248710D+02 -0.162587D+01 -0.200307D+01  0.194114D+01 -0.480897D+00
      2  -0.144546D+02  0.194430D+01  0.179092D+01 -0.101266D+01  0.488105D+00
      3  -0.104163D+02 -0.318434D+00  0.212152D+00 -0.928474D+00 -0.720831D-02
      4  -0.885115D+00  0.356275D+02 -0.402215D+00 -0.558617D+00  0.135856D+01
      5  -0.236420D+01  0.582039D-01  0.797095D+01  0.458651D+01  0.276671D+01
      6   0.634337D+00 -0.100626D+01 -0.127665D+01  0.310451D+00  0.232423D+01
               216 
      1   0.125475D+01
      2  -0.223891D+01
      3   0.984153D+00
      4   0.221837D+01
      5  -0.230232D+01
      6  -0.278092D-03
 Leave Link  716 at Fri Aug 13 12:04:58 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.116509D+03  0.119040D+01 -0.362865D+00
      2   0.119040D+01  0.104166D+03 -0.185726D+01
      3  -0.362865D+00 -0.185726D+01  0.870556D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.226122D+01 -0.472506D+01  0.692505D+01
      2  -0.385797D+01 -0.619969D-02  0.447465D+01
      3  -0.694881D+01 -0.110926D+02  0.168223D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.285089D+02 -0.129563D+02 -0.183094D+02
      2  -0.236669D+02  0.150433D+02  0.121862D+02
      3  -0.484201D+01 -0.208702D+01  0.612314D+01
      4  -0.213224D+02 -0.981365D+01 -0.113439D+01
      5  -0.800280D+01 -0.282383D+01  0.673151D+01
      6  -0.616831D-02  0.146368D+02 -0.131806D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.295722D+01  0.204912D+01 -0.710510D+00  0.153389D+01  0.223311D+01
      2   0.204912D+01  0.206123D+01  0.204700D+00  0.223311D+01 -0.367737D+01
      3  -0.710510D+00  0.204700D+00 -0.632209D+00  0.304870D+00 -0.110933D+01
                 6             7             8             9            10 
      1   0.304870D+00 -0.115502D+01  0.518699D+00 -0.541466D+00  0.311957D+01
      2  -0.110933D+01  0.518699D+00 -0.217668D+01 -0.610021D+00 -0.182789D+01
      3   0.795999D+00 -0.541466D+00 -0.610021D+00  0.881892D+01  0.109312D+01
                11            12            13            14            15 
      1  -0.182789D+01  0.109312D+01 -0.252513D+01 -0.204385D+01 -0.555630D+00
      2  -0.149647D+01 -0.297840D+00 -0.204385D+01  0.192971D+01  0.710121D+00
      3  -0.297840D+00 -0.132366D+01 -0.555630D+00  0.710121D+00  0.150660D+01
                16            17            18            19            20 
      1   0.194164D+01 -0.803019D+00  0.316394D+00  0.156534D+01 -0.221553D+01
      2  -0.803019D+00  0.999889D+00  0.553051D+00 -0.221553D+01 -0.179088D+01
      3   0.316394D+00  0.553051D+00 -0.930116D+01  0.828675D+00  0.168025D+00
                21            22            23            24            25 
      1   0.828675D+00 -0.349740D+01 -0.305901D+01  0.129203D+00  0.190053D+01
      2   0.168025D+00 -0.305901D+01  0.263172D+01  0.787596D+00  0.295090D+00
      3   0.936327D+00  0.129203D+00  0.787596D+00  0.141654D+01  0.109577D+00
                26            27            28            29            30 
      1   0.295090D+00  0.109577D+00  0.534501D+00  0.371688D+01 -0.109314D+01
      2   0.181612D+01  0.629601D+00  0.371688D+01  0.154942D+01  0.540871D-01
      3   0.629601D+00 -0.835477D+01 -0.109314D+01  0.540871D-01 -0.109967D+01
                31            32            33            34            35 
      1   0.375008D+01  0.300336D+01  0.148904D-01 -0.129904D+01  0.232431D+00
      2   0.300336D+01 -0.364030D+01 -0.897736D+00  0.232431D+00 -0.181257D+01
      3   0.148904D-01 -0.897736D+00 -0.748951D+00 -0.404010D+00 -0.284084D-01
                36            37            38            39            40 
      1  -0.404010D+00  0.197311D+01 -0.321394D+01  0.623477D+00 -0.438070D+01
      2  -0.284084D-01 -0.321394D+01 -0.425290D+00 -0.535982D+00 -0.100316D+01
      3   0.898783D+01  0.623477D+00 -0.535982D+00  0.288634D-01 -0.754225D-01
                41            42            43            44            45 
      1  -0.100316D+01 -0.754225D-01  0.290814D+01  0.175922D+00  0.261256D+00
      2  -0.310815D+01  0.947237D+00  0.175922D+00  0.123657D+01 -0.643294D+00
      3   0.947237D+00  0.717955D+00  0.261256D+00 -0.643294D+00 -0.171935D+01
                46            47            48            49            50 
      1  -0.440823D+01  0.735827D+00 -0.274336D+00  0.313720D+01  0.201432D+01
      2   0.735827D+00  0.192504D+01  0.965295D+00  0.201432D+01 -0.178631D+01
      3  -0.274336D+00  0.965295D+00 -0.560387D+00  0.118844D+00 -0.635772D+00
                51            52            53            54            55 
      1   0.118844D+00 -0.151963D+01  0.408805D+00 -0.129643D+00  0.462360D+01
      2  -0.635772D+00  0.408805D+00 -0.144266D+01 -0.138210D+00 -0.112802D+01
      3  -0.264345D+01 -0.129643D+00 -0.138210D+00  0.936689D+01  0.128115D+01
                56            57            58            59            60 
      1  -0.112802D+01  0.128115D+01 -0.415051D+00  0.911182D-02 -0.290555D+00
      2   0.192771D+01 -0.167915D+00  0.911182D-02  0.784269D+01  0.140328D+01
      3  -0.167915D+00  0.883030D+00 -0.290555D+00  0.140328D+01 -0.314197D+00
                61            62            63            64            65 
      1   0.201017D+01 -0.103241D+01  0.107853D+00  0.469975D+00 -0.340086D+00
      2  -0.103241D+01  0.342249D+01  0.152489D+01 -0.340086D+00 -0.354586D+00
      3   0.107853D+00  0.152489D+01  0.125484D+00 -0.898865D+00 -0.166708D-01
                66            67            68            69            70 
      1  -0.898865D+00 -0.196308D+00 -0.339804D+00 -0.198725D-02 -0.167896D+01
      2  -0.166708D-01 -0.339804D+00  0.766125D+00 -0.105777D+01  0.116113D+00
      3   0.189077D+00 -0.198725D-02 -0.105777D+01  0.366044D+00  0.241374D-01
                71            72            73            74            75 
      1   0.116113D+00  0.241374D-01 -0.358693D+01  0.354530D+01 -0.109892D+01
      2  -0.184249D+01  0.835544D+00  0.354530D+01  0.890675D+00 -0.937389D-01
      3   0.835544D+00 -0.775739D+01 -0.109892D+01 -0.937389D-01  0.112480D+01
                76            77            78            79            80 
      1   0.683760D+01 -0.327419D+00  0.379583D+00 -0.320883D+01  0.297860D+00
      2  -0.327419D+00  0.345121D+01 -0.896247D+00  0.297860D+00 -0.109953D+01
      3   0.379583D+00 -0.896247D+00  0.549259D+00 -0.124799D+01  0.462155D+00
                81            82            83            84            85 
      1  -0.124799D+01 -0.689931D+00  0.363631D+00  0.102669D+01  0.238561D+00
      2   0.462155D+00  0.363631D+00  0.276041D+00  0.527728D-01  0.246378D+00
      3  -0.706637D-01  0.102669D+01  0.527728D-01 -0.293422D+00  0.942452D-01
                86            87            88            89            90 
      1   0.246378D+00  0.942452D-01  0.199282D+01  0.127403D+00 -0.752822D+00
      2  -0.499952D+00  0.104171D+01  0.127403D+00  0.155455D+01 -0.306041D+00
      3   0.104171D+01 -0.681232D+00 -0.752822D+00 -0.306041D+00  0.800241D+01
                91            92            93            94            95 
      1  -0.261664D+00  0.198781D+00  0.100665D+01  0.326768D+00  0.479758D+00
      2   0.198781D+00  0.451775D+00  0.510873D-01  0.479758D+00 -0.390755D+00
      3   0.100665D+01  0.510873D-01 -0.685702D-01  0.629814D-01  0.872304D+00
                96            97            98            99           100 
      1   0.629814D-01  0.181240D+01 -0.243031D-01  0.318647D+00  0.609955D+01
      2   0.872304D+00 -0.243031D-01  0.166187D+01  0.143826D+00  0.202675D+01
      3  -0.309948D+00  0.318647D+00  0.143826D+00  0.758761D+01 -0.824615D+00
               101           102           103           104           105 
      1   0.202675D+01 -0.824615D+00  0.857150D+00  0.312113D+01  0.138899D+00
      2   0.367798D+01  0.128512D+00  0.312113D+01 -0.347007D+01 -0.974698D+00
      3   0.128512D+00 -0.167684D+00  0.138899D+00 -0.974698D+00 -0.934371D+00
               106           107           108           109           110 
      1  -0.193347D+01 -0.506696D+00  0.105947D+01  0.125789D+01 -0.313756D+01
      2  -0.506696D+00 -0.224632D+01  0.441362D+00 -0.313756D+01  0.867439D+00
      3   0.105947D+01  0.441362D+00 -0.179556D-01  0.181300D+01 -0.460595D+00
               111           112           113           114           115 
      1   0.181300D+01 -0.301505D+01 -0.189678D+01  0.330587D-01  0.309128D+01
      2  -0.460595D+00 -0.189678D+01  0.707350D+01  0.137296D+01  0.487722D-01
      3   0.145032D+01  0.330587D-01  0.137296D+01 -0.512920D+00 -0.171856D+00
               116           117           118           119           120 
      1   0.487722D-01 -0.171856D+00  0.857783D+00 -0.617891D+00 -0.102872D+01
      2   0.147947D+01  0.909169D+00 -0.617891D+00 -0.787915D-01 -0.455170D-01
      3   0.909169D+00 -0.851130D+01 -0.102872D+01 -0.455170D-01  0.736976D+00
               121           122           123           124           125 
      1  -0.695448D+00 -0.111673D+00 -0.620632D-01 -0.241165D+01 -0.108333D+00
      2  -0.111673D+00  0.205408D+00 -0.966200D+00 -0.108333D+00 -0.129984D+01
      3  -0.620632D-01 -0.966200D+00 -0.136908D+00  0.941111D+00 -0.493998D+00
               126           127           128           129           130 
      1   0.941111D+00 -0.425233D+01 -0.263040D+01  0.115371D+00 -0.290792D+01
      2  -0.493998D+00 -0.263040D+01 -0.293169D+01 -0.627611D-01 -0.295573D+01
      3  -0.780120D+01  0.115371D+00 -0.627611D-01  0.228253D+00 -0.460975D+00
               131           132           133           134           135 
      1  -0.295573D+01 -0.460975D+00 -0.834211D+00 -0.948326D+00  0.229910D+00
      2  -0.540905D+01 -0.589242D+00 -0.948326D+00 -0.199245D+01  0.120553D+01
      3  -0.589242D+00  0.158162D+01  0.229910D+00  0.120553D+01 -0.572925D+01
               136           137           138           139           140 
      1  -0.122029D-01 -0.395592D+00 -0.119289D+01 -0.494209D+00 -0.599711D+00
      2  -0.395592D+00 -0.429533D+00 -0.848565D-01 -0.599711D+00 -0.342783D+00
      3  -0.119289D+01 -0.848565D-01 -0.186288D+00  0.106944D+00 -0.940372D+00
               141           142           143           144           145 
      1   0.106944D+00 -0.224556D+01 -0.385216D+00 -0.997515D+00 -0.602339D+01
      2  -0.940372D+00 -0.385216D+00 -0.148825D+01 -0.122190D+01  0.342843D+01
      3  -0.897563D-01 -0.997515D+00 -0.122190D+01 -0.839721D+01 -0.500195D+00
               146           147           148           149           150 
      1   0.342843D+01 -0.500195D+00  0.237973D+01 -0.199366D+01  0.150014D+00
      2  -0.393122D+01  0.430774D-01 -0.199366D+01  0.284330D+01 -0.277343D+00
      3   0.430774D-01 -0.112609D+01  0.150014D+00 -0.277343D+00  0.717381D+00
               151           152           153           154           155 
      1  -0.124116D+01  0.632393D+00 -0.785152D+00 -0.730252D+01 -0.218688D+01
      2   0.632393D+00 -0.104571D+01  0.800532D+00 -0.218688D+01 -0.212869D+01
      3  -0.785152D+00  0.800532D+00 -0.117141D+00 -0.302558D-01  0.324575D-01
               156           157           158           159           160 
      1  -0.302558D-01 -0.489321D+01 -0.196038D+01 -0.219969D+00  0.872414D+00
      2   0.324575D-01 -0.196038D+01 -0.250755D+01  0.214103D+00  0.154123D+00
      3  -0.108079D+01 -0.219969D+00  0.214103D+00 -0.695492D+00 -0.102824D+01
               161           162           163           164           165 
      1   0.154123D+00 -0.102824D+01 -0.426597D+00  0.707166D+00  0.222466D+00
      2   0.386330D+00 -0.229588D+00  0.707166D+00 -0.104899D+01 -0.218469D-01
      3  -0.229588D+00 -0.900306D-01  0.222466D+00 -0.218469D-01  0.706993D-01
               166           167           168           169           170 
      1   0.238907D+01  0.702628D+00 -0.111255D+00  0.583170D+00 -0.183220D-01
      2   0.702628D+00  0.903707D+01  0.504207D+00 -0.183220D-01  0.133135D+01
      3  -0.111255D+00  0.504207D+00  0.118686D+01  0.245226D+00  0.100412D+01
               171           172           173           174           175 
      1   0.245226D+00  0.883974D+01  0.799003D+00 -0.149945D+01 -0.713879D-01
      2   0.100412D+01  0.799003D+00  0.685638D+00  0.201946D+00  0.263912D+01
      3   0.122741D+00 -0.149945D+01  0.201946D+00 -0.408277D-01  0.244474D+00
               176           177           178           179           180 
      1   0.263912D+01  0.244474D+00 -0.299359D+01 -0.185451D+00  0.175163D+01
      2  -0.483308D+01 -0.545812D+00 -0.185451D+00 -0.577573D+00  0.225751D-01
      3  -0.545812D+00 -0.115996D+01  0.175163D+01  0.225751D-01 -0.459102D+00
               181           182           183           184           185 
      1   0.735324D+00 -0.106750D+01 -0.507273D+00 -0.234776D+01  0.246247D+01
      2  -0.106750D+01  0.575241D+00  0.753338D-01  0.246247D+01 -0.956125D+01
      3  -0.507273D+00  0.753338D-01  0.283922D+00  0.761494D-01 -0.782620D+00
               186           187           188           189           190 
      1   0.761494D-01 -0.117722D+01  0.391955D+00  0.475733D+00  0.707186D-01
      2  -0.782620D+00  0.391955D+00 -0.165460D+01 -0.125818D+01  0.252228D+00
      3  -0.930661D+00  0.475733D+00 -0.125818D+01  0.163010D+00  0.109987D+01
               191           192           193           194           195 
      1   0.252228D+00  0.109987D+01  0.850885D+00  0.236487D+00 -0.149748D-01
      2   0.342799D-01  0.348035D-01  0.236487D+00 -0.827626D+00  0.958965D+00
      3   0.348035D-01 -0.758164D-01 -0.149748D-01  0.958965D+00  0.525910D+00
               196           197           198           199           200 
      1   0.212729D+01 -0.292972D+00  0.967026D+00 -0.635104D+00 -0.292745D+00
      2  -0.292972D+00  0.138723D+01 -0.119926D+01 -0.292745D+00  0.301614D-01
      3   0.967026D+00 -0.119926D+01  0.909824D+01  0.436749D+00 -0.139799D+00
               201           202           203           204           205 
      1   0.436749D+00 -0.406750D+00 -0.370814D+00  0.260052D+00  0.215036D+01
      2  -0.139799D+00 -0.370814D+00 -0.165869D+01  0.967806D+00  0.108805D+01
      3   0.278714D+00  0.260052D+00  0.967806D+00 -0.131058D+01 -0.130958D+01
               206           207           208           209           210 
      1   0.108805D+01 -0.130958D+01  0.409013D+00  0.123090D+01  0.111946D+00
      2   0.305798D+01 -0.275393D+01  0.123090D+01 -0.336502D+00 -0.845769D-01
      3  -0.275393D+01  0.636893D+01  0.111946D+00 -0.845769D-01  0.444442D+00
               211           212           213           214           215 
      1   0.354538D+01 -0.485869D+00 -0.321376D+00  0.308139D+00 -0.182574D+00
      2  -0.485869D+00  0.593221D+01 -0.107145D+00 -0.182574D+00  0.344826D+00
      3  -0.321376D+00 -0.107145D+00  0.110425D+01  0.560298D+00  0.350475D+00
               216 
      1   0.560298D+00
      2   0.350475D+00
      3  -0.315537D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.115744D+01  0.184410D+00 -0.389745D+00 -0.145619D+01  0.222471D+01
      2   0.107299D+01  0.717934D-01  0.115945D+01  0.852234D+00  0.172404D+01
      3  -0.147950D+01  0.739612D+00 -0.857393D+00  0.578509D+01 -0.112679D+01
                 6             7             8             9            10 
      1   0.635728D+00  0.823321D+00  0.383169D+01 -0.946327D+01 -0.605261D+00
      2   0.146376D+00 -0.301425D+01 -0.118441D+00 -0.562720D+01 -0.248537D+01
      3  -0.118013D+00 -0.703293D+00 -0.185556D+01 -0.119526D+01 -0.267184D+01
                11            12            13            14            15 
      1  -0.215091D+01 -0.741213D+00 -0.582565D+00 -0.181462D+01 -0.120298D+01
      2  -0.367866D+00  0.744127D+00  0.347241D+00 -0.132887D+01 -0.237017D+01
      3  -0.494945D+01 -0.187014D+00  0.109959D+01  0.252119D+01  0.247802D+01
                16            17            18            19            20 
      1  -0.123651D+01  0.237095D+01 -0.655658D+00 -0.183765D+01 -0.214042D-02
      2  -0.356204D+01 -0.126564D+01  0.134202D+02 -0.216907D+00  0.112250D+01
      3  -0.800801D+00  0.186688D+01  0.116171D+01  0.280417D+01 -0.426521D+01
                21            22            23            24            25 
      1   0.313594D+00 -0.121011D+01 -0.157383D+01 -0.648616D+00  0.339808D+00
      2   0.533123D-01  0.575800D+00  0.928518D+00  0.547451D-02 -0.439197D+01
      3   0.128024D+00  0.187386D+01 -0.439041D+01 -0.151701D+01  0.190848D+01
                26            27            28            29            30 
      1   0.216287D+01  0.602267D+01 -0.188498D+01  0.445066D+00  0.106241D+01
      2   0.551673D+00 -0.511799D+01 -0.113226D+01  0.112307D+01 -0.326630D+01
      3  -0.844603D+00 -0.364253D+00 -0.667061D+01 -0.843740D+01  0.357296D+00
                31            32            33            34            35 
      1  -0.764005D+00  0.104410D+00 -0.902397D-01 -0.102906D+00  0.347768D+01
      2  -0.604328D+00 -0.990960D+00 -0.307994D+01 -0.556675D+01  0.735739D+00
      3  -0.486496D+01  0.611691D+01  0.201482D+01  0.716325D+00  0.996289D+00
                36            37            38            39            40 
      1   0.466997D+01  0.213576D+01 -0.628776D-01 -0.131003D+01  0.482434D+00
      2   0.149032D+02  0.379145D+00  0.184300D+00  0.113394D+02 -0.200953D+00
      3   0.465450D+00 -0.370742D+01 -0.118081D+01 -0.158202D+01  0.187728D+02
                41            42            43            44            45 
      1   0.905086D+00 -0.455035D+01  0.217063D+01  0.238099D+01 -0.771942D+00
      2  -0.898875D-01  0.561281D+00 -0.677355D+01 -0.157468D+01  0.124025D+01
      3   0.205340D+01 -0.544953D-01 -0.472944D+01 -0.450890D+00 -0.390031D+00
                46            47            48            49            50 
      1  -0.463029D+00  0.416980D+00 -0.737446D+00 -0.667520D+00 -0.775921D-01
      2   0.119951D+01  0.335135D+00 -0.471746D+01 -0.303354D+00  0.198669D+01
      3   0.796151D+01  0.420258D+01  0.842639D+00 -0.928369D+00 -0.179656D+01
                51            52            53            54            55 
      1  -0.161164D+01 -0.251839D+01  0.277189D+01  0.107209D+02 -0.414399D+01
      2   0.435559D+01 -0.410946D+01 -0.900354D+00 -0.155894D+02 -0.368160D+01
      3  -0.196242D+01  0.185842D+01 -0.215911D+01 -0.157889D+00  0.161867D+02
                56            57            58            59            60 
      1   0.170690D+01 -0.162113D+01  0.225471D+01 -0.411628D+01 -0.595124D+01
      2   0.295510D+01  0.931882D+00  0.880730D+00 -0.229179D+01 -0.358649D+00
      3  -0.556530D+01  0.258801D+01  0.387368D+01  0.948163D+01  0.140617D+00
                61            62            63            64            65 
      1  -0.113383D+01  0.131929D+01 -0.272884D+01  0.109847D+01 -0.828571D-01
      2  -0.436711D+01 -0.156131D-01 -0.949747D+00  0.983846D+00 -0.593961D+00
      3   0.620434D+01  0.174309D+01  0.170068D+01  0.390629D+00 -0.172638D+01
                66            67            68            69            70 
      1  -0.433959D+00  0.127051D-01  0.144882D+01 -0.563291D+00 -0.284737D+00
      2   0.107805D+01 -0.351735D+00  0.428479D+00  0.278686D-01 -0.397252D+01
      3  -0.911474D+00  0.569015D+00  0.135030D+00 -0.655681D+00 -0.242778D+01
                71            72            73            74            75 
      1   0.375361D+01  0.937061D+01 -0.131232D+01 -0.920706D-01  0.159895D+01
      2  -0.393428D+00  0.527587D+01  0.570559D+01  0.141511D+01  0.402798D+01
      3  -0.105935D+01  0.856512D+00  0.117405D+02  0.266091D+00 -0.256348D+00
                76            77            78            79            80 
      1  -0.217698D+01 -0.523918D+00 -0.246561D+01  0.162971D+01  0.310272D+01
      2   0.117724D+01  0.272142D+01 -0.382736D+01 -0.137557D+01 -0.155567D+01
      3   0.787207D+01  0.172359D+02 -0.189111D+01 -0.130051D+00 -0.527637D+01
                81            82            83            84            85 
      1   0.378484D+00  0.148083D+00  0.309411D+00  0.130023D-02  0.733725D+00
      2   0.224049D+01 -0.205630D+01 -0.120212D+00  0.798500D+00  0.599092D-01
      3   0.729862D+00  0.734223D+00 -0.378758D+00  0.800451D-01  0.164369D+01
                86            87            88            89            90 
      1  -0.381869D+00 -0.186360D+01  0.423525D+00  0.421419D+01 -0.124912D+01
      2  -0.176644D+01  0.118554D+01 -0.343365D+01  0.365615D+00 -0.130004D+02
      3  -0.534634D+00  0.115894D+01  0.271965D+00  0.292993D+01 -0.798467D-01
                91            92            93            94            95 
      1  -0.902123D+00  0.218614D+00  0.564893D+00  0.182013D+00 -0.121904D+01
      2   0.144737D+01  0.316543D+00  0.327215D+00  0.655936D+00  0.138610D+00
      3  -0.341347D+00 -0.994504D+00  0.706979D+00  0.116811D+01  0.248702D+00
                96            97            98            99           100 
      1  -0.749728D+00 -0.446586D+00  0.426425D+01 -0.653182D+01  0.218556D+01
      2  -0.677375D+00 -0.461519D+01  0.343145D+00  0.488672D+01 -0.184216D+01
      3  -0.309557D+00  0.125658D+01 -0.119250D+01 -0.924222D-01  0.937893D+01
               101           102           103           104           105 
      1  -0.211504D-01 -0.202771D+01  0.106967D+01  0.480968D+01 -0.214747D+01
      2  -0.878216D+00  0.520497D+01  0.205935D+00 -0.160991D+01  0.992158D+00
      3  -0.111398D+02 -0.125869D+01 -0.178223D+01  0.153205D+02  0.237868D+01
               106           107           108           109           110 
      1  -0.144314D+01  0.372618D+01  0.151244D+01  0.165969D+01 -0.181239D+00
      2  -0.140463D+01  0.633163D+00 -0.114580D+01  0.273979D+01 -0.518196D+00
      3  -0.442657D+01  0.438933D+01  0.764426D+00  0.355939D+01  0.299712D+01
               111           112           113           114           115 
      1   0.244526D+01 -0.173499D+01  0.755457D+01 -0.123196D+01 -0.137233D+01
      2   0.155395D+01  0.402105D+00  0.346273D+01 -0.271422D+01 -0.476570D+01
      3  -0.112414D+01  0.122864D+02 -0.145993D+02 -0.348520D+01 -0.339213D+01
               116           117           118           119           120 
      1   0.284010D+01 -0.139630D+02 -0.327160D+00  0.143871D+00  0.639624D+00
      2   0.252013D+01 -0.191203D+02 -0.969427D+00 -0.367713D+00  0.211480D+01
      3  -0.410900D+01 -0.242889D+01  0.549299D+00 -0.744586D-01  0.864972D+00
               121           122           123           124           125 
      1  -0.292633D-01 -0.104458D+01 -0.776967D+00  0.338376D+00  0.358998D+01
      2   0.446912D-01 -0.126680D+01 -0.360751D-01 -0.393594D+01 -0.557745D+00
      3   0.221670D+01 -0.975580D+00  0.137508D+01  0.217442D+01  0.233069D+01
               126           127           128           129           130 
      1  -0.410289D+01 -0.157888D+00 -0.649307D+00 -0.141673D+01  0.867448D-01
      2  -0.108702D+02 -0.413117D+00 -0.156077D+01  0.574776D+01  0.700753D+00
      3  -0.338013D+00  0.621659D+01 -0.640472D+01  0.854135D+00  0.656593D+01
               131           132           133           134           135 
      1   0.160033D-01 -0.250458D+01  0.267170D+01  0.552837D+01 -0.152413D+02
      2   0.984894D+00 -0.158490D+01 -0.136860D+01 -0.375722D+01  0.124674D+02
      3  -0.561589D+01 -0.596645D+00  0.552453D+00 -0.116261D+01  0.258391D+01
               136           137           138           139           140 
      1  -0.131947D+01  0.740357D-01 -0.393504D+00  0.776394D+00 -0.123387D+01
      2   0.204205D+01 -0.415096D-02  0.102150D+01  0.198111D+00  0.999102D+00
      3  -0.656954D+00 -0.136566D+01  0.178457D+01  0.824735D+00  0.104442D+01
               141           142           143           144           145 
      1  -0.687492D+00 -0.570837D+00  0.317202D+01 -0.968825D+01  0.328905D+01
      2  -0.261815D+00 -0.353996D+01  0.128873D+01  0.125949D+02  0.336851D+01
      3  -0.142498D+01  0.334263D+01 -0.175634D+01  0.789787D+00 -0.163610D+02
               146           147           148           149           150 
      1  -0.151954D+01  0.376046D+01 -0.118035D+01  0.148863D+01 -0.186631D+01
      2  -0.206437D+01  0.291162D+01 -0.135936D+01  0.124869D+01 -0.150856D+01
      3   0.282437D+01 -0.193018D+01  0.512431D+01 -0.286379D+01  0.141418D+00
               151           152           153           154           155 
      1   0.230118D+01 -0.126222D+01  0.570468D+00  0.165250D+01  0.905522D+00
      2   0.810531D+00 -0.143335D+01  0.601739D+00 -0.277832D+01 -0.135004D+01
      3  -0.410027D+01  0.344153D+00 -0.111423D+01 -0.109346D+02 -0.100665D+02
               156           157           158           159           160 
      1  -0.523266D+00  0.140792D+01  0.895951D+00 -0.439100D+00 -0.323586D+00
      2   0.404817D+01 -0.179291D+01 -0.180872D+01  0.310489D+01  0.214607D+01
      3   0.765582D-01 -0.808723D+01 -0.134207D+02  0.916120D+00  0.756784D+00
               161           162           163           164           165 
      1   0.930435D+00  0.449678D+00 -0.507319D+00  0.543255D+00  0.293174D+00
      2   0.920596D+00  0.976450D-01  0.540780D+00 -0.132775D+00 -0.257516D+00
      3   0.239525D+01 -0.733449D+00 -0.481906D+01  0.449926D+01  0.898514D+00
               166           167           168           169           170 
      1   0.409595D+00 -0.327157D+01 -0.397498D+01 -0.472853D+00 -0.161171D+01
      2  -0.431020D+00  0.658199D+00  0.168618D+01 -0.848702D+00  0.141654D+01
      3   0.732116D+01 -0.198135D+02 -0.178938D+01  0.223938D+01 -0.359964D+01
               171           172           173           174           175 
      1  -0.522580D+00 -0.106105D+01 -0.857697D+00 -0.196899D+01  0.121326D+01
      2   0.659418D-01 -0.413432D+01 -0.919772D+00  0.740743D+01  0.581116D+00
      3  -0.113103D+01 -0.958464D+01 -0.124237D+02  0.150268D+01 -0.853716D+01
               176           177           178           179           180 
      1   0.208800D+01 -0.355085D+01  0.228188D+01  0.395004D+01  0.383501D+00
      2  -0.143040D+01 -0.209582D+01  0.177504D+01 -0.185882D+00 -0.319592D+01
      3   0.217738D+02  0.790592D+00  0.196202D+01  0.373580D+01 -0.176769D+01
               181           182           183           184           185 
      1  -0.150308D+01  0.460850D+00  0.768498D+00  0.977082D+00 -0.523172D+01
      2  -0.136516D+01  0.524486D+00  0.146151D+01  0.411242D+00 -0.208136D+01
      3   0.202634D+01 -0.103924D+01  0.689258D+00  0.564343D+00  0.206853D+02
               186           187           188           189           190 
      1  -0.463392D+01  0.102749D+01 -0.166088D+01 -0.336533D+00  0.203530D+01
      2  -0.257389D+01  0.495953D+00 -0.299687D+01  0.377268D+00  0.352097D+01
      3   0.200959D+01  0.190774D+01  0.343804D+01  0.236665D+01 -0.806552D-02
               191           192           193           194           195 
      1  -0.789596D-01 -0.285361D-01 -0.205249D+00  0.103921D+01  0.732824D+00
      2  -0.196828D+00  0.147352D+00 -0.856701D+00  0.254293D+01  0.131476D+01
      3  -0.133948D+01 -0.146236D+01 -0.105261D+01  0.151793D+01 -0.202124D+01
               196           197           198           199           200 
      1   0.691144D+00  0.279601D+01  0.132387D+02  0.102219D+01  0.354280D-01
      2  -0.282937D+01 -0.250461D+01  0.219728D+02 -0.220108D+01 -0.118943D+00
      3  -0.232353D+01 -0.323597D+01  0.254177D+01 -0.230242D+00  0.180928D+00
               201           202           203           204           205 
      1   0.937298D+00  0.650352D+00  0.256984D+01 -0.350277D+01 -0.351025D+01
      2  -0.750239D+00 -0.833389D+00 -0.240960D+01  0.316632D+01  0.191614D+00
      3  -0.118605D+01  0.459481D+00 -0.213497D+01  0.148929D+01 -0.316681D+01
               206           207           208           209           210 
      1  -0.448834D+01  0.169784D+02 -0.358731D+00  0.254404D+00 -0.793221D+00
      2   0.629550D+01 -0.142857D+02  0.954190D-01  0.217692D+00  0.440965D+00
      3   0.396589D+01 -0.312752D+01 -0.468093D+01  0.355431D+01  0.310187D+00
               211           212           213           214           215 
      1  -0.693342D-01 -0.372794D+01  0.116689D+00 -0.684896D+00  0.927010D+00
      2  -0.359300D+00 -0.749551D+00  0.454235D+01  0.197143D+00  0.159282D+01
      3   0.549018D+01 -0.302669D+02  0.752210D+00  0.104915D+01 -0.143339D+01
               216 
      1   0.312811D-01
      2  -0.106134D+01
      3  -0.104022D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.282523D+01 -0.695525D+01 -0.135978D+00 -0.596350D+01  0.107125D+02
      2   0.129710D+01  0.957003D+01 -0.446295D+00  0.688926D+01 -0.213979D+02
      3  -0.412234D+01 -0.261478D+01  0.582273D+00 -0.925767D+00  0.106854D+02
      4  -0.380907D+01 -0.166122D+01 -0.505330D+00 -0.779368D+01  0.890856D+01
      5   0.136021D+01 -0.824731D+00 -0.348287D+00 -0.270507D+01  0.158536D+01
      6   0.789590D+00  0.154115D+01  0.558500D+00  0.263305D+01 -0.620320D+01
                 6             7             8             9            10 
      1   0.205630D+01  0.186188D+01  0.425842D+01  0.786826D+01 -0.175675D+02
      2  -0.134045D+01 -0.321590D+00 -0.102494D+02  0.377236D+01  0.786816D+01
      3  -0.715853D+00 -0.154029D+01  0.599093D+01 -0.116406D+02  0.969935D+01
      4   0.219140D+01 -0.179696D+01  0.348154D+01  0.816586D-01  0.101741D+02
      5   0.242853D+00  0.241834D+01  0.143048D+01 -0.123286D+02 -0.692510D+01
      6  -0.692199D+01 -0.177354D+00 -0.156065D+01  0.233839D+02  0.281264D+00
                11            12            13            14            15 
      1   0.472322D+01 -0.124690D+01  0.966589D+01  0.587992D+01  0.142711D+01
      2  -0.107271D+01  0.353794D+01 -0.577380D+01 -0.782789D+00 -0.172188D+01
      3  -0.365051D+01 -0.229104D+01 -0.389209D+01 -0.509713D+01  0.294771D+00
      4  -0.272652D+01  0.105251D+01  0.524351D+01 -0.565512D+01 -0.165819D+01
      5   0.852435D+00 -0.240005D+01  0.290376D+01 -0.447328D+00 -0.446706D+01
      6  -0.191099D+01  0.210326D+01 -0.100512D+01  0.114045D+00 -0.441639D-01
                16            17            18            19            20 
      1  -0.105247D+02  0.191965D+01  0.573029D+01 -0.734123D+01  0.394350D+00
      2   0.351490D+01 -0.206008D+01  0.714851D+01  0.948808D+00 -0.594597D+01
      3   0.700979D+01  0.140436D+00 -0.128788D+02  0.639242D+01  0.555162D+01
      4   0.589413D+01 -0.280746D+01 -0.289719D+01 -0.603738D+01 -0.835242D+01
      5  -0.105670D+01 -0.264247D+01  0.340261D+02  0.261600D+01  0.140619D+01
      6   0.227551D+00  0.847258D+00  0.138535D+01 -0.185166D+00  0.139688D+01
                21            22            23            24            25 
      1  -0.849768D+00 -0.600900D+01 -0.497672D+01 -0.130502D+01  0.182402D+01
      2  -0.192183D+01  0.207415D+00  0.446085D+01 -0.324062D-01  0.121718D+01
      3   0.277159D+01  0.580159D+01  0.515867D+00  0.133742D+01 -0.304120D+01
      4   0.610182D+00 -0.989857D+01 -0.223230D+01 -0.118864D+00  0.418499D+01
      5  -0.383861D+01  0.208271D+01  0.394850D+00 -0.590127D+00  0.886905D+00
      6  -0.122685D+01 -0.316270D-01  0.265001D+01 -0.117003D+01 -0.158506D+00
                26            27            28            29            30 
      1   0.420838D+00  0.497189D+01 -0.890232D+01  0.979572D+01 -0.339451D+01
      2   0.144083D+01  0.927312D+01  0.323854D+01 -0.768218D+01  0.642783D+00
      3  -0.186167D+01 -0.142450D+02  0.566379D+01 -0.211354D+01  0.275172D+01
      4   0.363136D+01  0.133996D+01 -0.191507D+01 -0.810679D+01  0.322134D+01
      5   0.587832D+00 -0.118980D+02 -0.454004D+01  0.198339D+01 -0.100195D+02
      6   0.362217D+01 -0.141687D+02  0.455705D+01 -0.120562D+01  0.958527D+00
                31            32            33            34            35 
      1   0.752734D+01  0.413651D+01 -0.356936D+01 -0.180309D+01  0.128375D+00
      2  -0.521959D+01 -0.413979D+01  0.962697D-01 -0.208300D+01  0.123183D+01
      3  -0.230774D+01  0.327668D-02  0.347309D+01  0.388609D+01 -0.136021D+01
      4  -0.739816D+01 -0.148368D+02 -0.117174D+01  0.119018D+01 -0.243199D+01
      5   0.196604D+00 -0.583264D+00 -0.487570D+01 -0.242442D+01  0.164614D+00
      6  -0.412822D+00  0.177832D+01 -0.235201D+01  0.644179D+00  0.197933D+00
                36            37            38            39            40 
      1   0.544680D+01  0.136275D+01 -0.198467D+01 -0.154658D+01  0.272451D+00
      2   0.597011D+01  0.126207D+01  0.221494D+01 -0.307309D+00  0.763002D+00
      3  -0.114169D+02 -0.262482D+01 -0.230269D+00  0.185389D+01 -0.103545D+01
      4   0.497211D+00 -0.114716D+01  0.164945D+02 -0.187828D+01  0.140237D+02
      5   0.260794D+02  0.145202D+01 -0.302797D+00  0.186991D+02 -0.150689D+01
      6  -0.110221D+02 -0.209061D+01  0.191139D+01  0.228722D+01 -0.506348D+00
                41            42            43            44            45 
      1  -0.144167D+02  0.417893D+01  0.785201D+00  0.286928D+01 -0.560673D+01
      2   0.195392D+02 -0.108863D+01 -0.189767D+01 -0.309730D+01 -0.780844D+00
      3  -0.512251D+01 -0.309030D+01  0.111247D+01  0.228024D+00  0.638757D+01
      4   0.347524D+01 -0.402318D+00 -0.625448D+01  0.376652D-01 -0.161538D+01
      5  -0.916970D+00  0.188225D+01  0.467874D+01 -0.313909D+00  0.258185D+01
      6  -0.362625D+01  0.470527D+01 -0.104543D+01  0.604492D+01  0.204177D+01
                46            47            48            49            50 
      1  -0.963101D+01  0.358032D+01  0.452966D+01 -0.821420D+01 -0.268529D+01
      2   0.458593D+01 -0.867868D+01 -0.147412D+01 -0.420938D+00 -0.522303D+01
      3   0.504508D+01  0.509836D+01 -0.305554D+01  0.863514D+01  0.790832D+01
      4   0.210121D+01 -0.205311D+02 -0.113197D+01 -0.175764D+02 -0.389370D+01
      5   0.478844D+00 -0.906848D+00 -0.101248D+02  0.197857D+01  0.894583D+00
      6  -0.211236D+00 -0.263016D+01 -0.161697D+01  0.593107D+00  0.182875D+01
                51            52            53            54            55 
      1  -0.128325D+01  0.432563D+01 -0.630033D+00  0.883584D+01 -0.423762D+01
      2  -0.773534D+00  0.144826D+01  0.630466D+01  0.810445D+01 -0.360889D+01
      3   0.205679D+01 -0.577389D+01 -0.567463D+01 -0.169403D+02  0.784651D+01
      4   0.174744D+01  0.165188D+01  0.199085D+01  0.243381D+01  0.226768D+02
      5   0.654918D+01 -0.141671D+01  0.153685D+00 -0.297316D+02 -0.209719D+01
      6  -0.193355D+00  0.913918D+00  0.606290D+00 -0.258996D+02  0.645660D+01
                56            57            58            59            60 
      1   0.900780D+00 -0.264035D+01  0.357201D+01 -0.318198D+02 -0.603410D+01
      2   0.492208D+01  0.434131D+00 -0.157544D+01  0.476878D+02  0.505391D+01
      3  -0.582286D+01  0.220622D+01 -0.199657D+01 -0.158679D+02  0.980190D+00
      4  -0.616362D+01  0.533002D+01  0.183897D+01 -0.139359D+02 -0.399844D+01
      5   0.951239D+00  0.342117D+01  0.148250D+01 -0.294571D+01 -0.141652D+01
      6  -0.176718D+01  0.211655D+01 -0.281455D+01  0.111746D+02  0.113023D+02
                61            62            63            64            65 
      1  -0.139911D+01 -0.979023D+01 -0.802363D+01 -0.221533D+00  0.558714D+00
      2  -0.225915D+01  0.159682D+02  0.449850D+01 -0.315181D+01 -0.861189D+00
      3   0.365826D+01 -0.617802D+01  0.352513D+01  0.337334D+01  0.302475D+00
      4   0.103960D+02 -0.993588D+01 -0.191604D+01  0.818586D+00  0.222697D+01
      5   0.295789D+01 -0.367668D+01 -0.202411D+01  0.121465D+01 -0.104377D+01
      6  -0.329909D+00  0.135095D+02  0.600729D+01 -0.300795D+01 -0.554043D+00
                66            67            68            69            70 
      1   0.178348D+01  0.571675D+00 -0.425707D+01  0.262203D+01  0.189981D+01
      2  -0.630053D+00 -0.841754D+00  0.295521D+01 -0.345362D+01 -0.469448D+00
      3  -0.115343D+01  0.270080D+00  0.130186D+01  0.831582D+00 -0.143036D+01
      4  -0.257737D+01  0.194623D+01 -0.133562D+01  0.131404D+01 -0.340128D+01
      5   0.646715D+01  0.361276D-01  0.115224D+01 -0.369323D-01  0.339602D+01
      6   0.104968D+01 -0.815624D-01 -0.353435D+01  0.669832D+01 -0.264099D+00
                71            72            73            74            75 
      1   0.483399D+01 -0.157718D+02  0.212973D+02 -0.217943D+02  0.459219D+01
      2  -0.437941D+01 -0.122095D+02 -0.115659D+02  0.112174D+02 -0.548244D+01
      3  -0.454583D+00  0.279813D+02 -0.973131D+01  0.105769D+02  0.890249D+00
      4   0.287536D+01 -0.489260D+00 -0.279169D+02  0.492412D+01 -0.703524D+00
      5  -0.117260D+01  0.105340D+02  0.944551D+01 -0.350351D+00  0.705504D+01
      6   0.590259D+01 -0.229490D+02 -0.268044D+01  0.870418D+00 -0.286822D+01
                76            77            78            79            80 
      1  -0.420060D+02 -0.612300D+01 -0.518943D+00  0.175960D+02 -0.200740D+00
      2   0.240322D+02  0.741544D+01  0.129381D+01 -0.112626D+02  0.357082D+00
      3   0.179738D+02 -0.129244D+01 -0.774865D+00 -0.633344D+01 -0.156342D+00
      4   0.521103D+01 -0.198962D+02  0.474272D+01 -0.391487D+01  0.677685D+01
      5  -0.337726D+01  0.508169D+01 -0.580348D+01  0.133310D+02 -0.389498D+01
      6   0.311238D+00 -0.194027D+01  0.514066D+01 -0.259421D+01  0.367660D+01
                81            82            83            84            85 
      1   0.380329D+01  0.269748D+01 -0.108303D+01 -0.439878D+01 -0.527532D+00
      2  -0.645360D+01 -0.419101D+01  0.502584D+00  0.258813D+01  0.143188D+00
      3   0.265031D+01  0.149352D+01  0.580444D+00  0.181065D+01  0.384344D+00
      4  -0.424224D+01 -0.102843D+01  0.100122D+01  0.187429D+00  0.144357D+01
      5   0.507562D+01 -0.438336D+01 -0.284280D+00  0.676098D+01 -0.552934D+00
      6  -0.122415D+01  0.261272D+00  0.991082D-01  0.236506D+00 -0.128402D+01
                86            87            88            89            90 
      1  -0.363614D+01  0.320145D+00 -0.654709D+01  0.151121D+00 -0.137133D+02
      2   0.992508D-01  0.879213D+00  0.564878D+01  0.552249D+00 -0.153686D+02
      3   0.353689D+01 -0.119936D+01  0.898311D+00 -0.703370D+00  0.290819D+02
      4   0.177514D+01 -0.436235D+01  0.131781D-01 -0.492869D+01  0.135749D+01
      5  -0.431077D+01  0.262853D+01  0.687067D+01  0.163948D+01 -0.307670D+02
      6  -0.160539D+00  0.811365D+01 -0.947376D-01  0.415262D+01  0.123145D+01
                91            92            93            94            95 
      1   0.311495D+00 -0.367197D+00  0.207638D+01 -0.527000D+00 -0.205983D+01
      2  -0.284926D+01  0.704428D+00 -0.534720D+00  0.739911D+00 -0.984764D+00
      3   0.253777D+01 -0.337231D+00 -0.154166D+01 -0.212910D+00  0.304460D+01
      4  -0.162780D+00  0.223607D+01  0.145057D+01  0.285088D+01  0.178682D+00
      5   0.169985D+01  0.121860D+00  0.569135D+01 -0.266006D+00  0.120521D+01
      6   0.165992D+01 -0.214119D+00 -0.756795D+00  0.293816D+00  0.138752D+01
                96            97            98            99           100 
      1  -0.562070D+00  0.223945D+01 -0.206385D+01 -0.157091D+02  0.241085D+02
      2   0.231699D+01 -0.183155D+01  0.300381D+01 -0.152259D+02 -0.961398D+01
      3  -0.175492D+01 -0.407899D+00 -0.939958D+00  0.309351D+02 -0.144945D+02
      4   0.149574D+01  0.241011D+01  0.273404D+01  0.120511D+00  0.213088D+02
      5  -0.833393D+00  0.450528D+01  0.268828D+00  0.115080D+02 -0.368249D+01
      6   0.622818D+01  0.473091D+00  0.384122D+01  0.134978D+02 -0.266081D+01
               101           102           103           104           105 
      1  -0.487806D+01 -0.188270D+01 -0.626917D+00  0.178420D+02  0.374217D+01
      2   0.129771D+02  0.318464D+01  0.555231D+01 -0.195031D+02 -0.397902D+01
      3  -0.809909D+01 -0.130194D+01 -0.492539D+01  0.166105D+01  0.236846D+00
      4   0.221367D+02 -0.186817D+01  0.175117D+02 -0.224214D+01 -0.261859D+01
      5  -0.416567D+00  0.908162D+01 -0.636270D+00 -0.425338D+01  0.128337D+01
      6   0.851612D-02  0.342072D+01  0.960672D-01 -0.585850D+01  0.487261D+01
               106           107           108           109           110 
      1  -0.537115D+01  0.517377D+01  0.514729D+00 -0.105087D+02 -0.109020D+02
      2   0.219928D+01 -0.872448D+01 -0.282272D+01  0.828720D+01  0.468984D+01
      3   0.317187D+01  0.355070D+01  0.230799D+01  0.222148D+01  0.621216D+01
      4  -0.626060D+01 -0.792944D+01  0.393538D+01 -0.129506D+02  0.233405D+01
      5   0.788749D+01  0.251932D+01 -0.197622D+01  0.122597D+02 -0.274500D+01
      6   0.505875D+01  0.485309D+01 -0.283418D+01 -0.718825D+01  0.422510D+01
               111           112           113           114           115 
      1   0.266840D+01 -0.261757D+02  0.110051D+02  0.243015D+01  0.192990D+02
      2  -0.502382D+01  0.201974D+02 -0.288933D+02 -0.666481D+01 -0.850400D+01
      3   0.235542D+01  0.597828D+01  0.178882D+02  0.423466D+01 -0.107950D+02
      4  -0.546398D+01 -0.607908D+01  0.337095D+02  0.572580D+01 -0.150827D+01
      5  -0.731552D+00  0.155506D+01  0.586086D+01 -0.508701D+01 -0.156537D+01
      6  -0.434583D+01  0.505939D+00 -0.384992D+01  0.683879D+00  0.737976D+00
               116           117           118           119           120 
      1   0.170944D+01  0.154486D+02  0.241254D+01 -0.169669D+01 -0.204214D+01
      2  -0.511327D+01  0.702290D+01 -0.384839D+01  0.934211D+00  0.138942D+01
      3   0.340383D+01 -0.224715D+02  0.143584D+01  0.762479D+00  0.652721D+00
      4   0.769391D+01  0.509580D+01 -0.237410D+01  0.256210D+01  0.895654D+00
      5   0.478029D+01 -0.402150D+02 -0.273881D+01 -0.205231D+00  0.848185D+01
      6  -0.225135D+01  0.182169D+02  0.103549D+01  0.184845D+00 -0.826932D+00
               121           122           123           124           125 
      1  -0.151446D+01 -0.380614D+01 -0.712477D+00 -0.458354D+01 -0.117941D+01
      2   0.481040D+00  0.111976D+01  0.134176D+01  0.596780D+01  0.706227D+00
      3   0.103342D+01  0.268638D+01 -0.629281D+00 -0.138425D+01  0.473184D+00
      4   0.297889D+01  0.304967D+00 -0.204856D+01  0.310810D+01 -0.248132D+01
      5   0.193608D-01 -0.281425D+01  0.581711D+00  0.666298D+01 -0.124574D+01
      6  -0.614040D+00  0.153922D+01  0.731293D+01 -0.127295D+01  0.464844D+01
               126           127           128           129           130 
      1  -0.159727D+02  0.168703D+02  0.159295D+01  0.368754D+00  0.522464D+01
      2  -0.134564D+02  0.190714D+00  0.102328D+02  0.517056D+00  0.698197D+01
      3   0.294291D+02 -0.170610D+02 -0.118258D+02 -0.885810D+00 -0.122066D+02
      4  -0.143007D+01  0.247998D+02  0.289324D+02 -0.300574D+00  0.273193D+02
      5  -0.207164D+02 -0.174892D+01 -0.670129D+00  0.743732D+01  0.578543D+00
      6   0.105025D+02 -0.211794D+00 -0.867878D+00  0.342179D+01  0.125462D+01
               131           132           133           134           135 
      1  -0.647768D+01 -0.135887D+01 -0.300028D+00 -0.442345D+01  0.639393D+01
      2   0.271620D+02  0.212969D+01  0.108064D+01  0.417330D+01 -0.240822D+01
      3  -0.206843D+02 -0.770817D+00 -0.780612D+00  0.250155D+00 -0.398570D+01
      4   0.307256D+02  0.232752D+01  0.489294D+01  0.715362D+01 -0.347652D+01
      5   0.176183D+01 -0.201963D+01  0.332370D+01 -0.368952D+01  0.215543D+02
      6   0.209928D+01  0.224859D+01 -0.131750D+00 -0.227247D+01  0.260184D+02
               136           137           138           139           140 
      1   0.159981D+00  0.635677D+00  0.355594D+01 -0.409675D+00 -0.317044D+01
      2  -0.273893D+01 -0.506296D-01 -0.149484D+01  0.122967D+01  0.142389D+01
      3   0.257894D+01 -0.585048D+00 -0.206109D+01 -0.819997D+00  0.174655D+01
      4   0.154040D+01  0.409041D+01  0.296075D+01  0.426768D+01  0.170016D+01
      5   0.377060D+01  0.731774D+00  0.770551D+01 -0.445018D+00  0.243347D+01
      6   0.337821D+01 -0.207998D+00  0.542530D+00  0.860210D-01  0.336342D+01
               141           142           143           144           145 
      1  -0.185784D+01  0.245421D+01 -0.427815D+01 -0.173044D+02  0.107574D+02
      2   0.338544D+01 -0.330348D+01  0.221848D+01 -0.135176D+02  0.629505D+01
      3  -0.152760D+01  0.849265D+00  0.205968D+01  0.308220D+02 -0.170525D+02
      4   0.185805D+01  0.556561D+01  0.524026D+01  0.307499D+01 -0.338806D+02
      5  -0.700680D+00  0.757808D+01  0.349208D+01  0.236656D+02 -0.566397D-01
      6   0.716579D+01  0.303552D+01  0.764752D+01  0.240929D+02 -0.316198D+01
               146           147           148           149           150 
      1   0.439895D+00  0.196824D+01 -0.464142D+00 -0.263880D+01  0.359465D+00
      2  -0.140213D+02  0.473530D+00 -0.763440D+01  0.126551D+02 -0.157695D+01
      3   0.135814D+02 -0.244177D+01  0.809854D+01 -0.100163D+02  0.121748D+01
      4   0.251007D+02 -0.288866D+01  0.165429D+02 -0.145399D+02  0.166620D+01
      5   0.374628D+00  0.337460D+01  0.260640D+00  0.519365D+00 -0.197883D+01
      6   0.609561D+00 -0.565863D+01  0.101591D+01 -0.127695D+01  0.316205D+01
               151           152           153           154           155 
      1   0.158242D+01  0.123651D+01 -0.610830D+00  0.499334D+02  0.157083D+02
      2   0.138325D+01 -0.408973D+01  0.108787D+01 -0.274769D+02 -0.893808D+01
      3  -0.296568D+01  0.285322D+01 -0.477045D+00 -0.224565D+02 -0.677019D+01
      4  -0.684019D+01  0.487971D+01 -0.499170D+01  0.126034D+02  0.125168D+02
      5   0.418512D+01 -0.263692D+01  0.906916D+00  0.843883D+00  0.146045D+00
      6  -0.454423D+01  0.527488D+01 -0.913406D+00  0.126205D+01  0.101893D+01
               156           157           158           159           160 
      1  -0.808430D+00  0.327078D+02  0.124085D+02  0.405874D+00 -0.597433D+01
      2  -0.213215D+00 -0.186997D+02 -0.541510D+01 -0.869301D+00  0.341393D+01
      3   0.102164D+01 -0.140081D+02 -0.699336D+01  0.463427D+00  0.256040D+01
      4  -0.194399D+00  0.137919D+02  0.140326D+02 -0.111386D+01 -0.100493D+01
      5   0.658649D+01  0.153864D+01 -0.117828D+01  0.463020D+01  0.825997D+01
      6   0.118752D+00  0.127034D+01  0.996521D+00  0.266274D+00  0.655486D+00
               161           162           163           164           165 
      1  -0.129530D+01  0.472238D+01 -0.125340D+01  0.585366D+01  0.665255D+00
      2   0.579763D+00 -0.435942D+01  0.277084D+01 -0.663593D+01 -0.751002D+00
      3   0.715535D+00 -0.362969D+00 -0.151744D+01  0.782269D+00  0.857468D-01
      4  -0.209446D+01  0.180338D+01 -0.525409D+00  0.693078D+00  0.643358D+00
      5   0.212084D+01  0.365023D+00  0.529088D+00 -0.221808D+00 -0.175982D+00
      6   0.145729D+01 -0.485556D+00  0.116446D+01 -0.336387D+00 -0.811247D-01
               166           167           168           169           170 
      1   0.463794D+01 -0.276227D+02 -0.168954D+01  0.133198D+01 -0.458823D+01
      2  -0.368343D+00  0.457549D+02  0.310079D+01 -0.805571D+00  0.636246D+01
      3  -0.426960D+01 -0.181322D+02 -0.141125D+01 -0.526404D+00 -0.177423D+01
      4   0.770467D+01  0.255510D+02  0.147529D+01  0.120357D+01  0.394591D+01
      5  -0.156634D+00  0.256257D+01  0.319038D+01  0.156554D+01  0.278240D+01
      6  -0.120000D+00  0.335875D+01  0.541033D+01  0.894629D+00  0.700181D+01
               171           172           173           174           175 
      1  -0.381033D+01  0.738854D+02  0.240821D+01 -0.563252D+01  0.226865D+01
      2   0.355192D+01 -0.428986D+02 -0.583781D+00  0.719856D+01 -0.303669D+01
      3   0.258417D+00 -0.309868D+02 -0.182443D+01 -0.156604D+01  0.768038D+00
      4   0.274490D+01 -0.470619D+01  0.123354D+02  0.249688D+01  0.194098D+02
      5   0.208774D+00 -0.123088D+02  0.117146D+01  0.132143D+02  0.561361D+00
      6   0.128083D+01  0.324793D+01 -0.195625D+01  0.157643D+01 -0.121307D+01
               176           177           178           179           180 
      1   0.116327D+02  0.280178D+01 -0.202867D+02 -0.336134D+00  0.786826D+01
      2  -0.218848D+01  0.688217D+00  0.126796D+02 -0.441037D+00 -0.110741D+02
      3  -0.944418D+01 -0.349000D+01  0.760716D+01  0.777172D+00  0.320581D+01
      4  -0.283988D+02 -0.384047D+01  0.128128D+01 -0.480928D+01 -0.174515D+01
      5  -0.411419D+01 -0.383003D+01  0.193280D+02  0.208716D+00 -0.710202D+01
      6   0.146434D+01  0.701667D+01 -0.227982D+01  0.341266D+01 -0.288444D+00
               181           182           183           184           185 
      1   0.344718D+01 -0.620090D+01 -0.272575D+01 -0.532957D+01 -0.179807D+02
      2   0.270385D+01  0.140279D+01  0.847569D+00 -0.472049D+01  0.437104D+02
      3  -0.615103D+01  0.479811D+01  0.187818D+01  0.100501D+02 -0.257298D+02
      4  -0.859888D+01  0.106559D+02  0.142339D+01  0.193103D+02 -0.489633D+02
      5  -0.239657D+01  0.377782D+00  0.258823D+01  0.185469D+00 -0.327226D+01
      6   0.162859D+01 -0.419032D+00 -0.922833D+00  0.152774D+00  0.190064D+01
               186           187           188           189           190 
      1  -0.179469D+01 -0.472494D+01 -0.302207D+01 -0.361575D+01  0.107962D+01
      2   0.412649D+01  0.110881D+01  0.641444D+01  0.294375D+01 -0.401203D+01
      3  -0.233180D+01  0.361613D+01 -0.339237D+01  0.672003D+00  0.293241D+01
      4  -0.365689D+01  0.413397D+01 -0.828233D+01 -0.647216D+01  0.511325D+00
      5  -0.508128D+01  0.359896D+01 -0.652526D+01  0.986496D+00  0.624403D+01
      6   0.610187D+01 -0.212850D+01  0.767629D+01  0.147451D+01 -0.199953D+01
               191           192           193           194           195 
      1   0.112357D+01  0.738131D+01  0.500755D+01 -0.438817D+01  0.923405D+00
      2  -0.110666D+01 -0.367705D+01 -0.389741D+01  0.339990D+01 -0.248000D+01
      3  -0.169167D-01 -0.370427D+01 -0.111014D+01  0.988266D+00  0.155659D+01
      4   0.160924D+01 -0.222023D+01  0.142831D+01 -0.465129D+01  0.446614D+01
      5  -0.752159D+00  0.636691D+01 -0.428023D-01  0.483164D+01  0.281161D+01
      6  -0.615454D+00  0.477993D+00  0.538204D+00 -0.189174D+01  0.450903D+01
               196           197           198           199           200 
      1   0.893279D+01  0.328333D+01 -0.196973D+02  0.184380D+01  0.279572D+01
      2  -0.700103D+01 -0.164213D+01 -0.137591D+02 -0.142894D+01 -0.165087D+01
      3  -0.193177D+01 -0.164120D+01  0.334563D+02 -0.414851D+00 -0.114485D+01
      4  -0.456296D+01  0.643179D+01 -0.656750D+01  0.266071D+01  0.186110D+01
      5   0.994696D+01 -0.658423D+01  0.461655D+02 -0.216075D+01 -0.675447D+00
      6  -0.276256D+01  0.794777D+01 -0.208339D+02 -0.225173D+01  0.960922D+00
               201           202           203           204           205 
      1  -0.371605D+01  0.647232D+00 -0.537637D+01  0.266004D+01 -0.431696D+01
      2   0.177667D+01  0.101297D+01  0.808867D+01 -0.469925D+01  0.133125D+01
      3   0.193938D+01 -0.166020D+01 -0.271230D+01  0.203921D+01  0.298572D+01
      4  -0.214141D+01  0.331702D+01  0.578270D+01 -0.398074D+01 -0.982272D+01
      5   0.780719D+00 -0.132627D+01 -0.350548D+01  0.494965D+01  0.700436D+01
      6  -0.194223D+01 -0.166513D+01 -0.616471D+01  0.807539D+01  0.602290D+01
               206           207           208           209           210 
      1   0.754195D+01 -0.110602D+02  0.201672D+01  0.693822D+01  0.947030D+00
      2  -0.876651D+01  0.226427D+01  0.263588D+00 -0.293385D+01 -0.391817D+00
      3   0.122456D+01  0.879594D+01 -0.228031D+01 -0.400437D+01 -0.555213D+00
      4  -0.125306D+02  0.111398D+02  0.704779D+01 -0.289415D-02 -0.255460D+00
      5   0.106574D+02 -0.249592D+02  0.761492D+00 -0.574942D+00  0.982162D+00
      6   0.156058D+02 -0.303716D+02 -0.729289D-01 -0.141716D+00  0.137794D+01
               211           212           213           214           215 
      1   0.248710D+02 -0.162587D+01 -0.200307D+01  0.194114D+01 -0.480897D+00
      2  -0.144546D+02  0.194430D+01  0.179092D+01 -0.101266D+01  0.488105D+00
      3  -0.104163D+02 -0.318434D+00  0.212152D+00 -0.928474D+00 -0.720831D-02
      4  -0.885115D+00  0.356275D+02 -0.402215D+00 -0.558617D+00  0.135856D+01
      5  -0.236420D+01  0.582039D-01  0.797095D+01  0.458651D+01  0.276671D+01
      6   0.634337D+00 -0.100626D+01 -0.127665D+01  0.310451D+00  0.232423D+01
               216 
      1   0.125475D+01
      2  -0.223891D+01
      3   0.984153D+00
      4   0.221837D+01
      5  -0.230232D+01
      6  -0.278092D-03

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.131776D+01      0.334940D+01      0.111724D+02
   x         -0.113523D+01     -0.288546D+01     -0.962485D+01
   y          0.398650D+00      0.101327D+01      0.337990D+01
   z          0.537424D+00      0.136600D+01      0.455647D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.928538D+02      0.137595D+02      0.153095D+02
   aniso      0.245424D+02      0.363681D+01      0.404650D+01
   xx         0.105979D+03      0.157044D+02      0.174735D+02
   yx         0.114144D+01      0.169144D+00      0.188198D+00
   yy         0.945386D+02      0.140092D+02      0.155873D+02
   zx        -0.254045D+00     -0.376456D-01     -0.418864D-01
   zy        -0.148329D+01     -0.219801D+00     -0.244561D+00
   zz         0.780443D+02      0.115650D+02      0.128678D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.102577D+03      0.152004D+02      0.169127D+02
   aniso      0.259098D+02      0.383943D+01      0.427195D+01
   xx         0.116509D+03      0.172649D+02      0.192098D+02
   yx         0.119040D+01      0.176399D+00      0.196271D+00
   yy         0.104166D+03      0.154359D+02      0.171747D+02
   zx        -0.362865D+00     -0.537711D-01     -0.598284D-01
   zy        -0.185726D+01     -0.275217D+00     -0.306221D+00
   zz         0.870556D+02      0.129003D+02      0.143535D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.46931091          2.02747399          1.58195940
     6         -1.10579135         -0.40903642          2.94755119
     6          1.40243364          1.49971992         -0.52409182
     6          0.38182666         -0.55958918         -2.27834944
     8         -0.14788523         -2.77139472         -0.82398702
     6         -2.00752676         -2.39563240          1.05196742
     8          0.64666279          3.85330801          3.20653699
     1         -2.20909908          2.79314114          0.75012765
     8         -2.99412884          0.14617922          4.76506721
     1          0.61021455         -1.13229358          3.86791735
     1          3.16961158          0.81670938          0.32022244
     8          1.87591637          3.71579653         -1.97213244
     6          2.25393390         -1.31475292         -4.33387510
     1         -1.35359492          0.12154548         -3.18874467
     8         -2.49853466         -4.70414972          2.23212530
     1         -3.80018472         -1.79511092          0.20201081
     1         -0.50218887          4.15209055          4.58974911
     1         -3.55491245         -1.42930919          5.49312600
     1          2.27338563          5.05958025         -0.80386280
     8          2.50367489          0.56289923         -6.21628078
     1          1.55472097         -3.01685517         -5.25979082
     1          4.07806013         -1.77192234         -3.45511516
     1         -0.89240978         -5.46431830          2.65743091
     1          2.80733791          2.15654477         -5.37469792

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.131776D+01      0.334940D+01      0.111724D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.131776D+01      0.334940D+01      0.111724D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.928538D+02      0.137595D+02      0.153095D+02
   aniso      0.245424D+02      0.363681D+01      0.404650D+01
   xx         0.843748D+02      0.125031D+02      0.139115D+02
   yx         0.472793D+01      0.700607D+00      0.779531D+00
   yy         0.946838D+02      0.140307D+02      0.156112D+02
   zx        -0.108329D+02     -0.160527D+01     -0.178610D+01
   zy        -0.116012D+01     -0.171912D+00     -0.191278D+00
   zz         0.995029D+02      0.147448D+02      0.164058D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.102577D+03      0.152004D+02      0.169127D+02
   aniso      0.259098D+02      0.383943D+01      0.427195D+01
   xx         0.935476D+02      0.138623D+02      0.154239D+02
   yx         0.470889D+01      0.697785D+00      0.776390D+00
   yy         0.104527D+03      0.154893D+02      0.172341D+02
   zx        -0.114840D+02     -0.170175D+01     -0.189346D+01
   zy        -0.140972D+01     -0.208899D+00     -0.232431D+00
   zz         0.109657D+03      0.162495D+02      0.180800D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F07-05\Freq\RB3LYP\Gen\C6H12O6\PIERPA\13-Aug-2021\0\\#P B
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 105.9785683,1.1414391,94.538568,-0.2540451,-1.4832899,78.0443162\Quadr
 upole=-4.4671977,1.3236227,3.143575,2.0777669,-0.2025556,-2.2986577\PG
 =C01 [X(C6H12O6)]\NImag=0\\0.51431522,-0.00474028,0.48201985,0.0118179
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 00395,0.00000060,-0.00000295,-0.00000115,-0.00000304,-0.00000269,-0.00
 000549,0.00000002,-0.00000418,-0.00000151,0.00000594,-0.00000157,-0.00
 000406,-0.00000644\\\@


 ASKING FOR EFFICIENCY AND ADAPTABILITY IN THE SAME PROGRAM IS LIKE
 ASKING FOR A BEAUTIFUL AND MODEST WIFE ...
 WE'LL PROBABLY HAVE TO SETTLE FOR ONE OR THE OTHER.

             -- THE PSYCHOLOGY OF COMPUTER PROGRAMMING
                GERALD M. WEINBERG
 Job cpu time:       0 days 10 hours 22 minutes 27.9 seconds.
 Elapsed time:       0 days  1 hours 17 minutes 50.7 seconds.
 File lengths (MBytes):  RWF=    463 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 12:04:59 2021.
